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BMRB: 17729

2LEV

Structure of the DNA complex of the C-Terminal domain of Ler

Authors

Cordeiro, T., Schimdt, H., Grisienger, C., Pons, M., Cordeiro, T.

Assembly

C-Terminal domain of Ler

Entity

1. CT-Ler (polymer, Thiol state: not present), 57 monomers, 6689.255 Da Detail

SHHHHHHSMG NSSKGVYYRN EEGQTWSGVG RQPRWLKEAL LNGMKKEDFL VKDTEEE

2. LeeH A (polymer, Thiol state: not present), 15 monomers, 4736.030 Da Detail

GCGATAATTG ATAGG

3. LeeH B (polymer, Thiol state: not present), 15 monomers, 4566.920 Da Detail

CCTATCAATT ATCGC

Total weight

15992.205 Da

Max. entity weight

6689.255 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.3 %, Completeness: 82.2 %, Completeness (bb): 80.9 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	82.2 % (793 of 965)	89.9 % (581 of 646)	60.9 % (156 of 256)	88.9 % (56 of 63)
Backbone	80.9 % (445 of 550)	89.4 % (294 of 329)	61.8 % (102 of 165)	87.5 % (49 of 56)
Sidechain	84.3 % (393 of 466)	90.5 % (287 of 317)	69.7 % (99 of 142)	100.0 % (7 of 7)
Aromatic	63.4 % (85 of 134)	85.6 % (83 of 97)	0.0 % (0 of 35)	100.0 % (2 of 2)
Methyl	100.0 % (43 of 43)	100.0 % (26 of 26)	100.0 % (17 of 17)

1. CT-Ler

SHHHHHHSMG NSSKGVYYRN EEGQTWSGVG RQPRWLKEAL LNGMKKEDFL VKDTEEE

2. LeeH A

GCGATAATTG ATAGG

3. LeeH B

CCTATCAATT ATCGC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7, Details 20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)

#	Name	Isotope labeling	Concentration
10	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
11	LeeH_A	natural abundance	2 mM
12	LeeH_B	natural abundance	2 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	150 mM
15	sodium azide	natural abundance	0.01 % w/v
16	EDTA	natural abundance	0.2 mM
17	D2O	natural abundance	100 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7, Details 20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)

#	Name	Isotope labeling	Concentration
18	CT-Ler	[U-10% 13C; U-100% 15N]	1 mM
19	LeeH_A	natural abundance	2 mM
20	LeeH_B	natural abundance	2 mM
21	sodium phosphate	natural abundance	20 mM
22	sodium chloride	natural abundance	150 mM
23	sodium azide	natural abundance	0.01 % w/v
24	EDTA	natural abundance	0.2 mM
25	H2O	natural abundance	90 %
26	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LEV, Strand ID: A Detail

Release date

2011-12-05

Citation

Indirect DNA readout by an H-NS related protein: structure of the DNA complex of the C-terminal domain of Ler
Cordeiro, T., Schimdt, H., Madrid, C., Juarez, A., Bernado, P., Grisienger, C., Garcia, J., Pons, M.
PLoS Pathog. (2011), 7, e1002380-e1002380, PubMed 22114557 , DOI 10.1371/journal.ppat.1002380 , Abstract

Related entities 1. CT-Ler, : 1 : 1 entities Detail

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7, Details 20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)

#	Name	Isotope labeling	Concentration
18	CT-Ler	[U-10% 13C; U-100% 15N]	1 mM
19	LeeH_A	natural abundance	2 mM
20	LeeH_B	natural abundance	2 mM
21	sodium phosphate	natural abundance	20 mM
22	sodium chloride	natural abundance	150 mM
23	sodium azide	natural abundance	0.01 % w/v
24	EDTA	natural abundance	0.2 mM
25	H2O	natural abundance	90 %
26	D2O	natural abundance	10 %

3 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

5 3D H(CCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

6 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7, Details 20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)

#	Name	Isotope labeling	Concentration
10	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
11	LeeH_A	natural abundance	2 mM
12	LeeH_B	natural abundance	2 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	150 mM
15	sodium azide	natural abundance	0.01 % w/v
16	EDTA	natural abundance	0.2 mM
17	D2O	natural abundance	100 %

7 3D HNHA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

8 3D 1H-15N TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

11 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7, Details 20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)

#	Name	Isotope labeling	Concentration
10	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
11	LeeH_A	natural abundance	2 mM
12	LeeH_B	natural abundance	2 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	150 mM
15	sodium azide	natural abundance	0.01 % w/v
16	EDTA	natural abundance	0.2 mM
17	D2O	natural abundance	100 %

12 2D 1H-1H (13C-ed) NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7, Details 20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)

#	Name	Isotope labeling	Concentration
10	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
11	LeeH_A	natural abundance	2 mM
12	LeeH_B	natural abundance	2 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	150 mM
15	sodium azide	natural abundance	0.01 % w/v
16	EDTA	natural abundance	0.2 mM
17	D2O	natural abundance	100 %

13 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

14 2D 1H-1H (13C-fil) NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7, Details 20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)

#	Name	Isotope labeling	Concentration
10	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
11	LeeH_A	natural abundance	2 mM
12	LeeH_B	natural abundance	2 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	150 mM
15	sodium azide	natural abundance	0.01 % w/v
16	EDTA	natural abundance	0.2 mM
17	D2O	natural abundance	100 %

15 2D 1H-1H (15N/13C-fil) NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

16 3D 15N/13C-fil/13c-ed- NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
2	LeeH_A	natural abundance	2 mM
3	LeeH_B	natural abundance	2 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	sodium azide	natural abundance	0.01 % w/v
7	EDTA	natural abundance	0.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

17 2D 1H-1H (13C-fil) TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.7, Details 20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)

#	Name	Isotope labeling	Concentration
10	CT-Ler	[U-100% 13C; U-100% 15N]	1 mM
11	LeeH_A	natural abundance	2 mM
12	LeeH_B	natural abundance	2 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	150 mM
15	sodium azide	natural abundance	0.01 % w/v
16	EDTA	natural abundance	0.2 mM
17	D2O	natural abundance	100 %

NMR combined restraints 11 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17729_2lev.nef
Input source #2: Coordindates	2lev.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

------------------10--------20--------30--------40-------
SHHHHHHSMGNSSKGVYYRNEEGQTWSGVGRQPRWLKEALLNGMKKEDFLVKDTEEE
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SHHHHHHSMGNSSKGVYYRNEEGQTWSGVGRQPRWLKEALLNGMKKEDFLVKDTEEE
--------10--------20--------30--------40--------50-------

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

--------10-----
GCGATAATTGATAGG
|||||||||||||||
GCGATAATTGATAGG

Entity_assembly_ID (NMR): C vs Auth_asym_ID (model): C

---20--------30
CCTATCAATTATCGC
|||||||||||||||
CCTATCAATTATCGC
--------10-----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Sequence coverage (%)
A	A	57	100.0
B	B	15	100.0
C	C	15	100.0

Content subtype: combined_17729_2lev.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	791		91.2 (chain: A, length: 57), 100.0 (chain: B, length: 15), 100.0 (chain: C, length: 15)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1615 (1)	noe	87.7 (chain: A, length: 57)
2	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	287 (1)	noe	100.0 (chain: B, length: 15), 100.0 (chain: C, length: 15)
3	Distance restraints	CNS/XPLOR_distance_constraints_9	Warning	1 (1)	noe	6.7 (chain: B, length: 15)
4	Distance restraints	CNS/XPLOR_distance_constraints_10	Warning	21 (1)	noe	5.3 (chain: A, length: 57), 13.3 (chain: B, length: 15)
5	Distance restraints	CNS/XPLOR_distance_constraints_7	OK	15 (1)	undefined	100.0 (chain: B, length: 15), 100.0 (chain: C, length: 15)
6	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	16 (1)	hbond	21.1 (chain: A, length: 57)
7	Distance restraints	CNS/XPLOR_distance_constraints_6	OK	72 (1)	hbond	100.0 (chain: B, length: 15), 100.0 (chain: C, length: 15)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	190 (190)	.	100.0 (chain: A, length: 57)
2	Dihedral angle restraints	CNS/XPLOR_dihedral_8	OK	264 (264)	.	100.0 (chain: B, length: 15), 100.0 (chain: C, length: 15)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 91.2%
  - Entity_assembly_ID: B, Chain length: 15, Sequence coverage: 100.0%
  - Entity_assembly_ID: C, Chain length: 15, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 581
  - ¹³C chemical shifts: 151
  - ¹⁵N chemical shifts: 59
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
  - Entity_assemble_ID: C
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	355	317	89.3
¹³C chemical shifts	256	151	59.0
¹⁵N chemical shifts	66	59	89.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	119	107	89.9
¹³C chemical shifts	114	52	45.6
¹⁵N chemical shifts	56	49	87.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	236	210	89.0
¹³C chemical shifts	142	99	69.7
¹⁵N chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	19	19	100.0
¹³C chemical shifts	19	19	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	25	67.6
¹³C chemical shifts	35	0	0.0
¹⁵N chemical shifts	2	2	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	141	128	90.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	105	94	89.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	36	34	94.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	4	100.0
¹³C chemical shifts	4	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	15	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	150	136	90.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	105	93	88.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	45	43	95.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	5	100.0
¹³C chemical shifts	5	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	9	9	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 87.7%
- Total number of restraints: 1608
- Weight of restraints: 1.0 (1608)
- Potential type of restraints: square-well-parabolic (1608)
- Range of distance target values: 2.3, 4.15 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
  - Chain_ID: C
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_5
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: B, Chain length: 15, Sequence coverage: 100.0%
    - Entity_assembly_ID: C, Chain length: 15, Sequence coverage: 100.0%
  - Total number of restraints: 287
  - Weight of restraints: 1.0 (287)
  - Potential type of restraints: square-well-parabolic (287)
  - Range of distance target values: 2.47, 4.31 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
      None
    - Chain_ID: B
    - Chain_ID: C
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_9
    - Status: Warning
    - Experiment type: noe
    - Sequence coverage of experimental data
      - Entity_assembly_ID: B, Chain length: 15, Sequence coverage: 6.7%
    - Total number of restraints: 1
    - Weight of restraints: 1.0 (1)
    - Potential type of restraints: square-well-parabolic (1)
    - Range of distance target values: 3.4, 3.4 (Å)
    - Distance restraints per residue
      - Chain_ID: A
      - Chain_ID: B
      - Chain_ID: C
        None
    - Distance restraints on contact map
    - Saveframe: CNS/XPLOR_distance_constraints_10
      - Status: Warning
      - Experiment type: noe
      - Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 5.3%
        Entity_assembly_ID: B, Chain length: 15, Sequence coverage: 13.3%
      - Total number of restraints: 17
        Inter-chain restraints: 6
        Symmetric restraints: 11
      - Weight of restraints: 1.0 (17)
        Inter-chain restraints: 1.0 (6)
        Symmetric restraints: 1.0 (11)
      - Potential type of restraints: square-well-parabolic (17)
        Inter-chain restraints: square-well-parabolic (6)
        Symmetric restraints: square-well-parabolic (11)
      - Range of distance target values: 3.3, 3.65 (Å)
      - Histogram of distance target values
      - Distance restraints per residue
        Chain_ID: A
        Chain_ID: B
        Chain_ID: C
        None
      - Distance restraints on contact map
      - Saveframe: CNS/XPLOR_distance_constraints_7
        Status: OK
        Experiment type: undefined
        Sequence coverage of experimental data
        Entity_assembly_ID: B, Chain length: 15, Sequence coverage: 100.0%
        --------10----- GCGATAATTGATAGG ||||||||||||||| GCGATAATTGATAGG
        Entity_assembly_ID: C, Chain length: 15, Sequence coverage: 100.0%
        ---20--------30 CCTATCAATTATCGC ||||||||||||||| CCTATCAATTATCGC
        Total number of restraints: 15
        Inter-chain restraints: 15
        Weight of restraints: 1.0 (15)
        Inter-chain restraints: 1.0 (15)
        Potential type of restraints: square-well-parabolic (15)
        Inter-chain restraints: square-well-parabolic (15)
        Range of distance target values: 10.5, 10.75 (Å)
        Histogram of distance target values
        Distance restraints per residue
        Chain_ID: A
        None
        Chain_ID: B
        Chain_ID: C
        Distance restraints on contact map
        Chain_ID_1: B - Chain_ID_2: B
        None
        Chain_ID_1: C - Chain_ID_2: C
        None
        Chain_ID_1: B - Chain_ID_2: C
        Saveframe: CNS/XPLOR_distance_constraints_3
        Status: Warning
        Experiment type: hbond
        Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 21.1%
        Total number of restraints: 16
        Total hydrogen bond restraints: 16
        O...H-x: 4
        O...h-N: 4
        Long range: 8
        O...H-x: 4
        O...h-N: 4
        Weight of restraints: 1.0 (16)
        Total hydrogen bond restraints: 1.0 (16)
        O...H-x: 1.0 (4)
        O...h-N: 1.0 (4)
        Long range: 1.0 (8)
        O...H-x: 1.0 (4)
        O...h-N: 1.0 (4)
        Potential type of restraints: square-well-parabolic (16)
        Total hydrogen bond restraints: square-well-parabolic (16)
        O...H-x: square-well-parabolic (4)
        O...h-N: square-well-parabolic (4)
        Long range: square-well-parabolic (8)
        O...H-x: square-well-parabolic (4)
        O...h-N: square-well-parabolic (4)
        Range of distance target values: 2.0, 3.05 (Å)
        Histogram of distance target values
        Distance restraints per residue
        Chain_ID: A
        Chain_ID: B
        None
        Chain_ID: C
        None
        Distance restraints on contact map
        Saveframe: CNS/XPLOR_distance_constraints_6
        Status: OK
        Experiment type: hbond
        Sequence coverage of experimental data
        Entity_assembly_ID: B, Chain length: 15, Sequence coverage: 100.0%
        --------10----- GCGATAATTGATAGG ||||||||||||||| GCGATAATTGATAGG
        Entity_assembly_ID: C, Chain length: 15, Sequence coverage: 100.0%
        ---20--------30 CCTATCAATTATCGC ||||||||||||||| CCTATCAATTATCGC
        Total number of restraints: 72
        Total hydrogen bond restraints: 72
        Weight of restraints: 1.0 (72)
        Total hydrogen bond restraints: 1.0 (72)
        Potential type of restraints: square-well-parabolic (72)
        Total hydrogen bond restraints: square-well-parabolic (72)
        Range of distance target values: 2.0, 3.05 (Å)
        Histogram of distance target values
        Distance restraints per residue
        Chain_ID: A
        None
        Chain_ID: B
        Chain_ID: C
        Distance restraints on contact map
        Chain_ID_1: B - Chain_ID_2: B
        None
        Chain_ID_1: C - Chain_ID_2: C
        None
        Chain_ID_1: B - Chain_ID_2: C

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 100.0%
- Total number of restraints: 190
- Total number of restraints per polymer type: 190
- Weight of restraints: 1.0 (190)
- Potential type of restraints: square-well-parabolic (190)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
- Saveframe: CNS/XPLOR_dihedral_8
  - Status: OK
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: B, Chain length: 15, Sequence coverage: 100.0%
    - Entity_assembly_ID: C, Chain length: 15, Sequence coverage: 100.0%
  - Total number of restraints: 264
  - Total number of restraints per polymer type: 264
  - Weight of restraints: 1.0 (264)
  - Potential type of restraints: square-well-parabolic (264)
  - Dihedral angle restraints per residue
    - Chain_ID: B
    - Chain_ID: C

Keywords Arginine-minor-groove Recognition, EHEC, Horizontal gene Transfer, Indirect Readout, Nucleoid associated Proteins

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BMRB: 17729

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Related entities 1. CT-Ler, : 1 : 1 entities Detail

Experiments performed 17 experiments Detail

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NMR combined restraints 11 contents Detail