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BMRB: 16064

2KC7

Solution NMR structure of Bacteroides fragilis protein BF1650. Northeast Structural Genomics Consortium target BfR218

Authors

Eletsky, A., Wu, Y., Sukumaran, D., Lee, H., Lee, D.Y., Jiang, M., Foote, E.L., Xiao, R., Nair, R., Everett, J.K., Swapna, G.Y., Acton, T.B., Rost, B., Montelione, G.T., Prestegard, J.H., Szyperski, T.

Assembly

BF1650

Entity

1. BF1650 (polymer, Thiol state: not present), 99 monomers, 11642.96 Da Detail

MDQLKTIKEL INQGDIENAL QALEEFLQTE PVGKDEAYYL MGNAYRKLGD WQKALNNYQS AIELNPDSPA LQARKMVMDI LNFYNKDMYN QLEHHHHHH

Formula weight

11642.96 Da

Source organism

Bacteroides fragilis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 91.3 %, Completeness (bb): 92.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.3 % (1098 of 1203)	92.1 % (581 of 631)	89.3 % (409 of 458)	94.7 % (108 of 114)
Backbone	92.2 % (542 of 588)	91.5 % (182 of 199)	92.2 % (270 of 293)	93.8 % (90 of 96)
Sidechain	89.0 % (632 of 710)	90.7 % (392 of 432)	85.4 % (222 of 260)	100.0 % (18 of 18)
Aromatic	62.5 % (65 of 104)	76.9 % (40 of 52)	47.1 % (24 of 51)	100.0 % (1 of 1)
Methyl	92.7 % (89 of 96)	91.7 % (44 of 48)	93.8 % (45 of 48)

1. bfr218 protein

MDQLKTIKEL INQGDIENAL QALEEFLQTE PVGKDEAYYL MGNAYRKLGD WQKALNNYQS AIELNPDSPA LQARKMVMDI LNFYNKDMYN QLEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	200 mM
12	calcium chloride	natural abundance	5 mM
13	DTT	natural abundance	10 mM
14	DSS	natural abundance	50 uM
15	sodium azide	natural abundance	0.02 %
16	bfr218 protein	[U-5% 13C; U-100% 15N]	1 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
19	MES	natural abundance	20 mM
20	sodium chloride	natural abundance	200 mM
21	calcium chloride	natural abundance	5 mM
22	DTT	natural abundance	10 mM
23	DSS	natural abundance	50 uM
24	sodium azide	natural abundance	0.02 %
25	bfr218 protein	[U-5% 13C; U-100% 15N]	1 mM
26	Pf1 phage	natural abundance	2.65 g/L
27	H2O	natural abundance	90 %
28	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.27 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.27 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.09 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.11 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KC7, Strand ID: A Detail

Release date

2009-05-06

Citation

Solution NMR structure of Bacteroides fragilis protein BF1650. Northeast Structural Genomics Consortium target BfR218
Eletsky, A., Wu, Y., Sukumaran, D., Lee, H., Lee, D.Y., Jiang, M., Foote, E.L., Xiao, R., Nair, R., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Prestegard, J.H., Szyperski, T.
Proteins: Struct. Funct. Genet.

Related entities 1. BF1650, : 1 : 22 entities Detail

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

2 2D 1H-13C HSQC ali

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

3 2D 1H-13C HSQC aro

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

4 2D 1H-13C CT-HSQC ali

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

5 2D 1H-13C CT-HSQC aro

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

6 3D HNNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

7 (4,3)D GFT CABCA(CO)NHN

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

8 (4,3)D GFT HNNCABCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

9 (4,3)D HABCAB(CO)NHN

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

10 (4,3)D GFT HCCH-COSY ali

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

11 (4,3)D GFT HCCH-COSY aro

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

12 3D (H)CCH-TOCSY ali

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

13 3D HN(CA)CO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

14 3D 1H-15N,13C NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

15 2D 1H-13C CT-HSQC ali 28ms

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	200 mM
12	calcium chloride	natural abundance	5 mM
13	DTT	natural abundance	10 mM
14	DSS	natural abundance	50 uM
15	sodium azide	natural abundance	0.02 %
16	bfr218 protein	[U-5% 13C; U-100% 15N]	1 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

16 2D MEXICO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	200 mM
3	calcium chloride	natural abundance	5 mM
4	DTT	natural abundance	10 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	bfr218 protein	[U-100% 13C; U-100% 15N]	0.89 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

17 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
19	MES	natural abundance	20 mM
20	sodium chloride	natural abundance	200 mM
21	calcium chloride	natural abundance	5 mM
22	DTT	natural abundance	10 mM
23	DSS	natural abundance	50 uM
24	sodium azide	natural abundance	0.02 %
25	bfr218 protein	[U-5% 13C; U-100% 15N]	1 mM
26	Pf1 phage	natural abundance	2.65 g/L
27	H2O	natural abundance	90 %
28	D2O	natural abundance	10 %

18 2D 1H-15N TROSY

Instrument

Varian INOVA - 600 MHz UGA

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
19	MES	natural abundance	20 mM
20	sodium chloride	natural abundance	200 mM
21	calcium chloride	natural abundance	5 mM
22	DTT	natural abundance	10 mM
23	DSS	natural abundance	50 uM
24	sodium azide	natural abundance	0.02 %
25	bfr218 protein	[U-5% 13C; U-100% 15N]	1 mM
26	Pf1 phage	natural abundance	2.65 g/L
27	H2O	natural abundance	90 %
28	D2O	natural abundance	10 %

19 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	200 mM
12	calcium chloride	natural abundance	5 mM
13	DTT	natural abundance	10 mM
14	DSS	natural abundance	50 uM
15	sodium azide	natural abundance	0.02 %
16	bfr218 protein	[U-5% 13C; U-100% 15N]	1 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

20 2D 1H-15N TROSY

Instrument

Varian INOVA - 600 MHz UGA

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	200 mM
12	calcium chloride	natural abundance	5 mM
13	DTT	natural abundance	10 mM
14	DSS	natural abundance	50 uM
15	sodium azide	natural abundance	0.02 %
16	bfr218 protein	[U-5% 13C; U-100% 15N]	1 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16064_2kc7.nef
Input source #2: Coordindates	2kc7.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--------50--------60--------70--------80--------90---------
MDQLKTIKELINQGDIENALQALEEFLQTEPVGKDEAYYLMGNAYRKLGDWQKALNNYQSAIELNPDSPALQARKMVMDILNFYNKDMYNQLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MDQLKTIKELINQGDIENALQALEEFLQTEPVGKDEAYYLMGNAYRKLGDWQKALNNYQSAIELNPDSPALQARKMVMDILNFYNKDMYNQLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	99	0	0	100.0

Content subtype: combined_16064_2kc7.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1104		93.9 (chain: A, length: 99)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	3258 (1)	noe	93.9 (chain: A, length: 99)
2	Distance restraints	DYANA/DIANA_distance_constraints_6	Warning	190 (1)	hbond	70.7 (chain: A, length: 99)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	126 (126)	.	73.7 (chain: A, length: 99)
1	RDC restraints	DYANA/DIANA_dipolar_coupling_5	OK	51 (51)	.	51.5 (chain: A, length: 99)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 93.9%
- Total number of assignments
  - ¹H chemical shifts: 588
  - ¹³C chemical shifts: 408
  - ¹⁵N chemical shifts: 108
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
68	SER	HG	7.173

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	631	587	93.0
¹³C chemical shifts	458	408	89.1
¹⁵N chemical shifts	116	108	93.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	199	185	93.0
¹³C chemical shifts	198	185	93.4
¹⁵N chemical shifts	96	89	92.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	432	402	93.1
¹³C chemical shifts	260	223	85.8
¹⁵N chemical shifts	20	19	95.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	52	98.1
¹³C chemical shifts	53	51	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	40	76.9
¹³C chemical shifts	51	23	45.1
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 93.9%
- Total number of restraints: 3244
- Weight of restraints: 1.0 (3244)
- Potential type of restraints: upper-bound-parabolic (3244)
- Range of distance target values: 2.81, 6.0 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_6
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 70.7%
  - Total number of restraints: 190
  - Weight of restraints: 1.0 (190)
  - Potential type of restraints: upper-bound-parabolic (190)
  - Range of distance target values: 1.5, 3.3 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 73.7%
- Total number of restraints: 126
- Total number of restraints per polymer type: 126
- Weight of restraints: 1.0 (126)
- Potential type of restraints: square-well-parabolic (126)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: DYANA/DIANA_dipolar_coupling_5

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 51.5%

--------10--------20--------30--------40--------50--------60--------70--------80--------90---------
MDQLKTIKELINQGDIENALQALEEFLQTEPVGKDEAYYLMGNAYRKLGDWQKALNNYQSAIELNPDSPALQARKMVMDILNFYNKDMYNQLEHHHHHH
    ||| ||  ||  | ||||| ||||     ||||||||| |||||   ||||  |||||||      |||||||| |                   
....KTI.EL..QG..E.ALQAL.EFLQ.....KDEAYYLMG.AYRKL...QKAL..YQSAIEL......LQARKMVM.I                   
--------10--------20--------30--------40--------50--------60--------70--------80

Total number of restraints: 51
Potential type of restraints: undefined (51)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None

Keywords GFT-NMR, all-alpha, tetratricopeptide repeat

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Found 1 Document (0.695 seconds)

BMRB: 16064

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. BF1650, : 1 : 22 entities Detail

Experiments performed 20 experiments Detail

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NMR combined restraints 6 contents Detail