MolNFT v1 · #27863 · protein

Vinculin head (1-258) in complex with the talin vinculin binding site 3 (1945-1969)

1XWJ: “Vinculin head (1-258) in complex with the talin vinculin binding site 3 (1945-1969)”. X-ray diffraction, 3 pockets (best druggability 0.45). MolNFT v1 #27863 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1XWJ
Type: protein
Length: 277 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Vinculin; Talin
UniProt: P12003, Q8AWI0
Pockets: 3 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Vinculin	protein	253	79% helix, 1% strand	P12003
B	Talin	protein	24	79% helix, 0% strand	Q8AWI0

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	106	0.45	0.78	16	empty
2	88	0.36	0.75	18	empty
3	54	0.30	0.76	12	empty

Interfaces

1 interface between chains.

A–B · 1185 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

1XWJ · Vinculin head (1-258) in complex with the talin vinculin binding site 3 (1945-1969) · the same entry in another collection · chain A against A, TM-score 1.00
P12003 · AlphaFold monomer V2.0 prediction for vinculin (P12003) · a predicted model of the same protein · chain A against A, TM-score 0.90

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P12003
Every structure of UniProt Q8AWI0
Elsewhere: RCSB PDB 1XWJ · PDBe 1XWJ · UniProt P12003 · UniProt Q8AWI0

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