MolNFT v1 · #38425 · protein

Human vinculin (head domain, VH1, residues 1-258) in complex with SHIGELLA'S ipaa vinculin binding site (residues 602-633)

2GWW: “Human vinculin (head domain, VH1, residues 1-258) in complex with SHIGELLA'S ipaa vinculin binding site…”. X-ray diffraction, 3 pockets (best druggability 0.57). MolNFT v1 #38425 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 2GWW
Type: protein
Length: 281 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Vinculin; Ipaa
UniProt: P18206
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 81% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Vinculin	protein	259	80% helix, 1% strand	P18206
B	Ipaa	protein	22	91% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	156	0.57	0.82	25	empty
2	106	0.43	0.77	19	empty
3	96	0.38	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 1107 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

2GWW · Human vinculin (head domain, Vh1, residues 1-258) in complex with Shigella's IpaA… · the same entry in another collection · chain A against A, TM-score 1.00
P18206 · AlphaFold monomer V2.0 prediction for vinculin (P18206) · a predicted model of the same protein · chain A against A, TM-score 0.84

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 P18206
Elsewhere: RCSB PDB 2GWW · PDBe 2GWW · UniProt P18206

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