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BMRB: 25439

2MY1

Solution structure and 1H, 13C, and 15N chemical shift assignments for Bud31p

Authors

van Roon, A.M., Yang, J., Mathieu, D., Bermel, W., Nagai, K., Neuhaus, D.

Assembly

Bud31p protein

Entity

1. Bud31p polypeptide (polymer, Thiol state: all other bound), 159 monomers, 18517.17 Da Detail

GGSPRIKTRR SKPAPDGFEK IKPTLTDFEI QLRDAQKDKS SKLAAKSNEQ LWEIMQLHHQ RSRYIYTLYY KRKAISKDLY DWLIKEKYAD KLLIAKWRKT GYEKLCCLRC IQKNETNNGS TCICRVPRAQ LEEEARKKGT QVSFHQCVHC GCRGCASTD

2. ZINC ION (non-polymer), 65.409 × 3 Da

Total weight

18713.396 Da

Max. entity weight

18517.17 Da

Entity Connection

metal coordination 12 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS106:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS107:SG	2:ZN1:ZN
3	metal coordination	sing	1:CYS110:SG	2:ZN1:ZN
4	metal coordination	sing	1:CYS150:SG	2:ZN1:ZN
5	metal coordination	sing	1:CYS110:SG	2:ZN1:ZN
6	metal coordination	sing	1:CYS122:SG	2:ZN1:ZN
7	metal coordination	sing	1:CYS124:SG	2:ZN1:ZN
8	metal coordination	sing	1:CYS150:SG	2:ZN1:ZN
9	metal coordination	sing	1:CYS106:SG	2:ZN1:ZN
10	metal coordination	sing	1:CYS124:SG	2:ZN1:ZN
11	metal coordination	sing	1:CYS152:SG	2:ZN1:ZN
12	metal coordination	sing	1:CYS155:SG	2:ZN1:ZN

Source organism

Saccharomyces cerevisiae

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 82.7 %, Completeness (bb): 84.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.7 % (1597 of 1932)	86.8 % (891 of 1026)	73.1 % (538 of 736)	98.8 % (168 of 170)
Backbone	84.1 % (794 of 944)	98.1 % (315 of 321)	69.7 % (327 of 469)	98.7 % (152 of 154)
Sidechain	83.6 % (952 of 1139)	81.7 % (576 of 705)	86.1 % (360 of 418)	100.0 % (16 of 16)
Aromatic	100.0 % (138 of 138)	100.0 % (69 of 69)	100.0 % (66 of 66)	100.0 % (3 of 3)
Methyl	100.0 % (142 of 142)	100.0 % (71 of 71)	100.0 % (71 of 71)

1. Bud31p polypeptide

GGSPRIKTRR SKPAPDGFEK IKPTLTDFEI QLRDAQKDKS SKLAAKSNEQ LWEIMQLHHQ RSRYIYTLYY KRKAISKDLY DWLIKEKYAD KLLIAKWRKT GYEKLCCLRC IQKNETNNGS TCICRVPRAQ LEEEARKKGT QVSFHQCVHC GCRGCASTD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	150 mM
10	DTT	[U-2H]	1 mM
11	D2O	natural abundance	100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	Bud31p (Zn)3	[U-98% 15N]	0.3 ~ 0.5 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	150 mM
15	DTT	[U-2H]	1 mM
16	D2O	natural abundance	5 %
17	H2O	natural abundance	95 %

LACS Plot; CA

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

Referencing offset: -0.1 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.1 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 35 models in PDB: 2MY1, Strand ID: A Detail

Release date

2016-02-17

Citation

¹¹³Cd NMR experiments reveal an unusual metal cluster in the solution structure of the yeast splicing protein Bud31p
van Roon, A.M., Yang, J., Mathieu, D., Bermel, W., Nagai, K., Neuhaus, D.
Angew. Chem Int Ed Engl. (2015), 54, 4861-4864, PubMed 25703931 , DOI 10.1002/anie.201412210 , Abstract

Related entities 1. Bud31p polypeptide, : 1 : 21 : 59 entities Detail

Interaction partners 1. Bud31p polypeptide, : 26 interactors Detail

More details for 26 interactors identified by 11 citations

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	Bud31p (Zn)3	[U-98% 15N]	0.3 ~ 0.5 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	150 mM
15	DTT	[U-2H]	1 mM
16	D2O	natural abundance	5 %
17	H2O	natural abundance	95 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

3 2D 1H-13C HSQC aliphatic (constant-time)

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

4 2D 1H-13C HSQC aromatic (constant-time)

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

5 2D 1H-15N HSQC

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

6 2D 1H-1H NOESY

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

7 3D HNCACB

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

8 3D CBCA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

9 3D HBHANH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

10 3D HBHA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

11 3D HC(C)H-COSY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

12 3D HC(C)H-TOCSY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

13 3D (H)CCH-TOCSY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

14 3D HNHB

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

15 3D HACAHB

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	150 mM
10	DTT	[U-2H]	1 mM
11	D2O	natural abundance	100 %

16 3D 1H-15N NOESY (50ms mixing)

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

17 3D 1H-13C NOESY aliphatic (50ms mixing)

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

18 3D 1H-13C NOESY aromatic (50ms mixing)

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

19 3D 1H-15N NOESY (150ms mixing)

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

20 3D 1H-13C NOESY aliphatic (150ms mixing)

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

21 3D 1H-13C NOESY aromatic (150ms mixing)

Instrument

Bruker Avance AVI - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Bud31p (Zn)3	[U-98% 13C; U-98% 15N]	0.3 ~ 0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	[U-2H]	1 mM
5	D2O	natural abundance	5 %
6	H2O	natural abundance	95 %

NMR combined restraints 7 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25439_2my1.nef
Input source #2: Coordindates	2my1.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:122:CYS:SG	2:3:ZN:ZN	unknown	unknown	n/a
1:150:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:106:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:155:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:124:CYS:SG	2:3:ZN:ZN	unknown	unknown	n/a
1:110:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:110:CYS:SG	2:3:ZN:ZN	unknown	unknown	n/a
1:152:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:107:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:147:CYS:SG	2:3:ZN:ZN	unknown	unknown	n/a
1:106:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:124:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	1	ZN	ZINC ION	None
B	2	ZN	ZINC ION	None
B	3	ZN	ZINC ION	None

Sequence alignments

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

-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1
GGSPRIKTRRSKPAPDGFEKIKPTLTDFEIQLRDAQKDKSSKLAAKSNEQLWEIMQLHHQRSRYIYTLYYKRKAISKDLYDWLIKEKYADKLLIAKWRKT
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GGSPRIKTRRSKPAPDGFEKIKPTLTDFEIQLRDAQKDKSSKLAAKSNEQLWEIMQLHHQRSRYIYTLYYKRKAISKDLYDWLIKEKYADKLLIAKWRKT
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

00-------110-------120-------130-------140-------150-------
GYEKLCCLRCIQKNETNNGSTCICRVPRAQLEEEARKKGTQVSFHQCVHCGCRGCASTD
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GYEKLCCLRCIQKNETNNGSTCICRVPRAQLEEEARKKGTQVSFHQCVHCGCRGCASTD
-------110-------120-------130-------140-------150---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	159	0	0	100.0

Content subtype: combined_25439_2my1.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	12		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1555		100.0 (chain: A, length: 159)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2748 (1)	noe	97.5 (chain: A, length: 159)
2	Distance restraints	CNS/XPLOR_distance_constraints_7	Warning	18 (1)	undefined	5.7 (chain: A, length: 159)
3	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	30 (1)	hbond	17.0 (chain: A, length: 159)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	57 (57)	.	35.8 (chain: A, length: 159)
2	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	140 (140)	.	51.6 (chain: A, length: 159)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 159, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 878
  - ¹³C chemical shifts: 510
  - ¹⁵N chemical shifts: 167
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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	1026	878	85.6
¹³C chemical shifts	736	509	69.2
¹⁵N chemical shifts	183	167	91.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	321	317	98.8
¹³C chemical shifts	318	158	49.7
¹⁵N chemical shifts	154	151	98.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	705	561	79.6
¹³C chemical shifts	418	351	84.0
¹⁵N chemical shifts	29	16	55.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	72	72	100.0
¹³C chemical shifts	72	72	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	69	69	100.0
¹³C chemical shifts	66	66	100.0
¹⁵N chemical shifts	3	3	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 159, Sequence coverage: 97.5%
- Total number of restraints: 2732
- Weight of restraints: 1.0 (2732)
- Potential type of restraints: square-well-parabolic (2732)
- Range of distance target values: 1.15, 2.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_7
  - Status: Warning
  - Experiment type: undefined
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 159, Sequence coverage: 5.7%
  - Total number of restraints: 18
  - Weight of restraints: 1.0 (18)
  - Potential type of restraints: square-well-parabolic (18)
  - Range of distance target values: 3.8, 3.8 (Å)
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
      None
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_5
    - Status: Warning
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 159, Sequence coverage: 17.0%
    - Total number of restraints: 30
    - Weight of restraints: 1.0 (30)
    - Potential type of restraints: square-well-parabolic (30)
    - Range of distance target values: 1.1, 1.6 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
      - Chain_ID: B
        None
    - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 159, Sequence coverage: 35.8%
- Total number of restraints: 57
- Total number of restraints per polymer type: 57
- Weight of restraints: 1.0 (57)
- Potential type of restraints: square-well-parabolic (57)
- Dihedral angle restraints per residue
- Saveframe: CNS/XPLOR_dihedral_4
  - Status: OK
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 159, Sequence coverage: 51.6%
  - Total number of restraints: 140
  - Total number of restraints per polymer type: 140
  - Weight of restraints: 1.0 (140)
  - Potential type of restraints: square-well-parabolic (140)
  - Plot of Phi-Psi angle restraints
  - Dihedral angle restraints per residue
    - Chain_ID: A

Keywords splicing protein, zinc cluster, zinc finger

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Found 1 Document (1.448 seconds)

BMRB: 25439

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Bud31p polypeptide, : 1 : 21 : 59 entities Detail

Interaction partners 1. Bud31p polypeptide, : 26 interactors Detail

Experiments performed 21 experiments Detail

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NMR combined restraints 7 contents Detail