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BMRB: 19522

2MEJ

Solution Structure of the Complex Between BCL-xL and the p53 Core Domain determined with PRE restraints

Authors

Viacava Follis, A., Grace, C.R., Kriwacki, R.W.

Assembly

Complex Between BCL-xL and the p53 Core Domain

Entity

1. BCL-xL (polymer), 212 monomers, 23647.74 Da Detail

GHSMSQSNRE LVVDFLSYKL SQKGYSWSQF SDVEENRTEA PEGTESEMET PSAINGNPSW HLADSPAVNG ATGHSSSLDA REVIPMAAVK QALREAGDEF ELRYRRAFSD LTSQLHITPG TAYQSFEQVV NELFRDGVNW GRIVAFFSFG GALCVESVDK EMQVLVSRIA AWMATYLNDH LEPWIQENGG WDTFVELYGN NAAAESRKGQ ER

2. p53 (polymer), 214 monomers, 24020.93 Da Detail

GHSTYQGSYG FRLGFLHSGT AKSVTCTYSP ALNKMFCQLA KTCPVQLWVD STPPPGTRVR AMAIYKQSQH MTEVVRRCPH HERCSDSDGL APPQHLIRVE GNLRVEYLDD RNTFRHSVVV PYEPPEVGSD CTTIHYNYMC NSSCMGGMNR RPILTIITLE DSSGNLLGRN SFEVRVCACP GRDRRTEEEN LRKKGEPHHE LPPGSTKRAL SNNT

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

Total weight

47734.082 Da

Max. entity weight

24020.93 Da

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 48.8 %, Completeness: 25.3 %, Completeness (bb): 40.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	25.3 % (1223 of 4828)	13.9 % (350 of 2510)	35.3 % (660 of 1870)	47.5 % (213 of 448)
Backbone	40.6 % (1020 of 2510)	26.2 % (226 of 861)	47.2 % (588 of 1246)	51.1 % (206 of 403)
Sidechain	14.5 % (393 of 2712)	7.5 % (124 of 1649)	25.7 % (262 of 1018)	15.6 % (7 of 45)
Aromatic	3.9 % (16 of 406)	4.9 % (10 of 203)	0.0 % (0 of 196)	85.7 % (6 of 7)
Methyl	38.3 % (151 of 394)	34.0 % (67 of 197)	42.6 % (84 of 197)

1. BCL-xL

2. p53

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
9	BCL-xL	natural abundance	0.65 mM
10	H2O	natural abundance	93 %
11	D2O	natural abundance	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details Without DTT: oxidized MTSL

#	Name	Isotope labeling	Concentration
12	p53	[U-98% 15N; U-98% 2H]	0.1 mM
13	BCL-xL_C151MTSL	natural abundance	0.1 mM
14	H2O	natural abundance	93 %
15	D2O	natural abundance	7 %

Sample #4

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM DTT: reduced MTSL

#	Name	Isotope labeling	Concentration
16	p53	[U-98% 15N; U-98% 2H]	0.1 mM
17	BCL-xL_C151MTSL	natural abundance	0.1 mM
18	DTT	natural abundance	10 mM
19	H2O	natural abundance	93 %
20	D2O	natural abundance	7 %

Sample #5

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details Without DTT: oxydized MTSL

#	Name	Isotope labeling	Concentration
21	p53	[U-98% 15N; U-98% 2H]	0.1 mM
22	BCL-xL_C151S_S122C MTSL	natural abundance	0.1 mM
23	H2O	natural abundance	93 %
24	D2O	natural abundance	7 %

Sample #6

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM DTT: reduced MTSL

#	Name	Isotope labeling	Concentration
25	p53	[U-98% 15N; U-98% 2H]	0.1 mM
26	BCL-xL_C151S_S122C MTSL	natural abundance	0.1 mM
27	DTT	natural abundance	10 mM
28	H2O	natural abundance	93 %
29	D2O	natural abundance	7 %

Sample #7

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details Withoud DTT: oxidized MTSL

#	Name	Isotope labeling	Concentration
30	p53	[U-98% 15N; U-98% 2H]	0.1 mM
31	BCL-xL_C151S_S2C MTSL	natural abundance	0.1 mM
32	H2O	natural abundance	93 %
33	D2O	natural abundance	7 %

Sample #8

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM DTT: reduced MTSL

#	Name	Isotope labeling	Concentration
34	p53	[U-98% 15N; U-98% 2H]	0.1 mM
35	BCL-xL_C151S_S2C MTSL	natural abundance	0.1 mM
36	DTT	natural abundance	10 mM
37	H2O	natural abundance	93 %
38	D2O	natural abundance	7 %

Sample #9

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
39	BCL-xL	[U-98% 15N; U-98% 2H]	0.1 mM
40	Co_p53	natural abundance	0.1 mM
41	H2O	natural abundance	93 %
42	D2O	natural abundance	7 %

Sample #10

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
43	BCL-xL	[U-98% 15N; U-98% 2H]	0.1 mM
44	p53	natural abundance	0.1 mM
45	H2O	natural abundance	93 %
46	D2O	natural abundance	7 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25145
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.10133

Referencing offset: 1.07 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25145
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.10133

Referencing offset: 1.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25145
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.10133

Referencing offset: 0.23 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2015-07-23

Citation

The DNA-binding domain mediates both nuclear and cytosolic functions of p53
Viacava Follis, A., Ou, L., Llambi, F., Green, D.R., Kriwacki, R.W.
Nat. Struct. Mol. Biol. (2014), 21, 535-543, PubMed 24814347 , DOI 10.1038/nsmb.2829 , Abstract

Related entities 1. BCL-xL, : 2 : 26 entities Detail

Related entities 2. p53, : 1 : 13 entities Detail

Interaction partners 1. BCL-xL, : 87 interactors Detail

More details for 87 interactors identified by 36 citations

Experiments performed 23 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

2 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
9	BCL-xL	natural abundance	0.65 mM
10	H2O	natural abundance	93 %
11	D2O	natural abundance	7 %

3 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details Without DTT: oxidized MTSL

#	Name	Isotope labeling	Concentration
12	p53	[U-98% 15N; U-98% 2H]	0.1 mM
13	BCL-xL_C151MTSL	natural abundance	0.1 mM
14	H2O	natural abundance	93 %
15	D2O	natural abundance	7 %

4 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM DTT: reduced MTSL

#	Name	Isotope labeling	Concentration
16	p53	[U-98% 15N; U-98% 2H]	0.1 mM
17	BCL-xL_C151MTSL	natural abundance	0.1 mM
18	DTT	natural abundance	10 mM
19	H2O	natural abundance	93 %
20	D2O	natural abundance	7 %

5 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details Without DTT: oxydized MTSL

#	Name	Isotope labeling	Concentration
21	p53	[U-98% 15N; U-98% 2H]	0.1 mM
22	BCL-xL_C151S_S122C MTSL	natural abundance	0.1 mM
23	H2O	natural abundance	93 %
24	D2O	natural abundance	7 %

6 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details Without DTT: oxydized MTSL

#	Name	Isotope labeling	Concentration
21	p53	[U-98% 15N; U-98% 2H]	0.1 mM
22	BCL-xL_C151S_S122C MTSL	natural abundance	0.1 mM
23	H2O	natural abundance	93 %
24	D2O	natural abundance	7 %

7 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details Withoud DTT: oxidized MTSL

#	Name	Isotope labeling	Concentration
30	p53	[U-98% 15N; U-98% 2H]	0.1 mM
31	BCL-xL_C151S_S2C MTSL	natural abundance	0.1 mM
32	H2O	natural abundance	93 %
33	D2O	natural abundance	7 %

8 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM DTT: reduced MTSL

#	Name	Isotope labeling	Concentration
34	p53	[U-98% 15N; U-98% 2H]	0.1 mM
35	BCL-xL_C151S_S2C MTSL	natural abundance	0.1 mM
36	DTT	natural abundance	10 mM
37	H2O	natural abundance	93 %
38	D2O	natural abundance	7 %

9 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
39	BCL-xL	[U-98% 15N; U-98% 2H]	0.1 mM
40	Co_p53	natural abundance	0.1 mM
41	H2O	natural abundance	93 %
42	D2O	natural abundance	7 %

10 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
43	BCL-xL	[U-98% 15N; U-98% 2H]	0.1 mM
44	p53	natural abundance	0.1 mM
45	H2O	natural abundance	93 %
46	D2O	natural abundance	7 %

11 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
9	BCL-xL	natural abundance	0.65 mM
10	H2O	natural abundance	93 %
11	D2O	natural abundance	7 %

12 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

13 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

14 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

15 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

16 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

17 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

18 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	DTT	natural abundance	5 mM
5	NaN3	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

19 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	p53	[U-98% 13C; U-98% 15N; U-98% 2H]	0.6 mM
9	BCL-xL	natural abundance	0.65 mM
10	H2O	natural abundance	93 %
11	D2O	natural abundance	7 %

20 2D CBCACO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
39	BCL-xL	[U-98% 15N; U-98% 2H]	0.1 mM
40	Co_p53	natural abundance	0.1 mM
41	H2O	natural abundance	93 %
42	D2O	natural abundance	7 %

21 2D CBCACO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
43	BCL-xL	[U-98% 15N; U-98% 2H]	0.1 mM
44	p53	natural abundance	0.1 mM
45	H2O	natural abundance	93 %
46	D2O	natural abundance	7 %

22 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
39	BCL-xL	[U-98% 15N; U-98% 2H]	0.1 mM
40	Co_p53	natural abundance	0.1 mM
41	H2O	natural abundance	93 %
42	D2O	natural abundance	7 %

23 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
43	BCL-xL	[U-98% 15N; U-98% 2H]	0.1 mM
44	p53	natural abundance	0.1 mM
45	H2O	natural abundance	93 %
46	D2O	natural abundance	7 %

NMR combined restraints 2 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts	combined_19522_2mej.nef
Input source #2: Coordindates	2mej.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	Error

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)
2:84:HIS:ND1	3:1:ZN:ZN	unknown	unknown	n/a
2:147:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
C	1	ZN	ZINC ION	None

Sequence alignments

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

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GHSMSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEF
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GHSMSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEF

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
ELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGN
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGN

-------210--
NAAAESRKGQER
||||||||||||
NAAAESRKGQER

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

--100-------110-------120-------130-------140-------150-------160-------170-------180-------190-----
SVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLI
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLI
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

--200-------210-------220-------230-------240-------250-------260-------270-------280-------290-----
RVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENLRKKGEP
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
RVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENLRKKGEP
-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200

--300-------310--
HHELPPGSTKRALPNNT
|||||||||||||||||
HHELPPGSTKRALPNNT
-------210-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	212	0	0	100.0
B	B	217	0	0	100.0

Content subtype: combined_19522_2mej.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1128		95.8 (chain: A, length: 212)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 212, Sequence coverage: 95.8%
- Total number of assignments
  - ¹H chemical shifts: 273
  - ¹³C chemical shifts: 646
  - ¹⁵N chemical shifts: 209
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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)
154	CYS	HG	2.363

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1240	272	21.9
¹³C chemical shifts	930	646	69.5
¹⁵N chemical shifts	244	209	85.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	433	203	46.9
¹³C chemical shifts	424	395	93.2
¹⁵N chemical shifts	205	203	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	807	69	8.6
¹³C chemical shifts	506	251	49.6
¹⁵N chemical shifts	39	6	15.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	106	63	59.4
¹³C chemical shifts	106	83	78.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	120	6	5.0
¹³C chemical shifts	114	0	0.0
¹⁵N chemical shifts	6	6	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Keywords BCL-2 family, BCL-xL, apoptosis, cytoplasmic p53, p53, selective labeling

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Found 1 Document (2.84 seconds)

BMRB: 19522

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. BCL-xL, : 2 : 26 entities Detail

Related entities 2. p53, : 1 : 13 entities Detail

Interaction partners 1. BCL-xL, : 87 interactors Detail

Experiments performed 23 experiments Detail

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