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BMRB: 18700

2LXW

The solution structure of XIAP(RING)-binding domain of human XAF1

Authors

Tse, M., Cho, C., Guan, X., Sze, K.

Assembly

XIAP(RING)-binding domain of XAF1

Entity

1. XIAP(RING)-binding domain of XAF1, entity 1 (polymer, Thiol state: all other bound), 55 monomers, 6192.034 Da Detail

GSEFTSSPRG DKAAYDILRR CSQCGILLPL PILNQHQEKC RWLASSKGKQ VRNFS

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

Total weight

6257.4434 Da

Max. entity weight

6192.034 Da

Entity Connection

metal coordination 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS21:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS24:SG	2:ZN1:ZN
3	metal coordination	sing	1:CYS40:SG	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.4 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.4 % (620 of 650)	95.1 % (328 of 345)	95.5 % (235 of 246)	96.6 % (57 of 59)
Backbone	96.0 % (311 of 324)	96.4 % (107 of 111)	95.7 % (154 of 161)	96.2 % (50 of 52)
Sidechain	95.5 % (360 of 377)	94.4 % (221 of 234)	97.1 % (132 of 136)	100.0 % (7 of 7)
Aromatic	81.8 % (36 of 44)	81.8 % (18 of 22)	81.0 % (17 of 21)	100.0 % (1 of 1)
Methyl	100.0 % (48 of 48)	100.0 % (24 of 24)	100.0 % (24 of 24)

1. entity 1

GSEFTSSPRG DKAAYDILRR CSQCGILLPL PILNQHQEKC RWLASSKGKQ VRNFS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	XAF1	[U-100% 13C; U-100% 15N]	1.2 mM
2	BisTris-HCl	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	D10	5 mM
5	PMSF	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl protons	internal	indirect	0.2514
¹H	TSP	methyl protons	internal	direct	1.0
¹⁵N	TSP	methyl protons	internal	indirect	0.1013

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl protons	internal	indirect	0.2514
¹H	TSP	methyl protons	internal	direct	1.0
¹⁵N	TSP	methyl protons	internal	indirect	0.1013

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl protons	internal	indirect	0.2514
¹H	TSP	methyl protons	internal	direct	1.0
¹⁵N	TSP	methyl protons	internal	indirect	0.1013

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl protons	internal	indirect	0.2514
¹H	TSP	methyl protons	internal	direct	1.0
¹⁵N	TSP	methyl protons	internal	indirect	0.1013

Referencing offset: 0.0 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2LXW, Strand ID: A Detail

Release date

2013-02-11

Citation

Domain organization of XAF1 and the identification and characterization of XIAP(RING) -binding domain of XAF1
Tse, M., Cho, C., Wong, W., Zou, B., Hui, S., Wong, B., Sze, K.
Protein Sci. (2012), 21, 1418-1428, PubMed 22811387 , DOI 10.1002/pro.2126 , Abstract

Related entities 1. XIAP(RING)-binding domain of XAF1, entity 1, : 1 : 2 : 3 entities Detail

Interaction partners 1. XIAP(RING)-binding domain of XAF1, entity 1, : 2 interactors Detail

More details for 2 interactors identified by 1 citations