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BMRB: 19521

2ME9

Solution structure of BCL-xL containing the alpha1-alpha2 disordered loop determined with selective isotope labelling of I,L,V sidechains

Authors

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

Assembly

BCL-xL containing the alpha1-alpha2 disordered loop

Entity

1. BCL-xL containing the alpha1-alpha2 disordered loop (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

Formula weight

23647.74 Da

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.7 %, Completeness: 73.4 %, Completeness (bb): 95.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	73.4 % (1763 of 2402)	71.5 % (886 of 1240)	71.7 % (667 of 930)	90.5 % (210 of 232)
Backbone	95.7 % (1204 of 1258)	95.4 % (413 of 433)	94.8 % (588 of 620)	99.0 % (203 of 205)
Sidechain	55.9 % (749 of 1340)	58.6 % (473 of 807)	53.2 % (269 of 506)	25.9 % (7 of 27)
Aromatic	6.7 % (16 of 240)	8.3 % (10 of 120)	0.0 % (0 of 114)	100.0 % (6 of 6)
Methyl	86.6 % (175 of 202)	88.1 % (89 of 101)	85.1 % (86 of 101)

1. BCL-xL

Show sample condition

Sample

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	BCL-xL	[U- 98% 13C; U- 98% 15N; U- 98% 2H; U- I,LV CH3 1H]	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 %

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: 1.13 ppm, Outliers: 2 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: 1.13 ppm, Outliers: 2 Detail

LACS Plot; HA

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

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: 0.25 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2ME9, Strand ID: A Detail

Release date

2014-04-27

Citation

The DNA Binding Domain is a Promiscuous Interaction Hub that Mediates the Nuclear and Cytoplasmic Functions of p53
Kriwacki, A., Ou, L., Llambi, F., Green, D.R., Kriwacki, R.W.
Nat. Struct. Biol.

Related entities 1. BCL-xL containing the alpha1-alpha2 disordered loop, : 1 : 2 : 12 : 113 entities Detail

Interaction partners 1. BCL-xL containing the alpha1-alpha2 disordered loop, : 87 interactors Detail

More details for 87 interactors identified by 36 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC