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MolNFT v1 · #140103 · protein

Crystal structure of the complex between the vinculin D1 domain and alphae-catenin

5Y04: “Crystal structure of the complex between the vinculin D1 domain and alphae-catenin”. X-ray diffraction, 1 pocket (best druggability 0.58). MolNFT v1 #140103 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5Y04
Type
protein
Length
303 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vinculin; Catenin alpha-1
UniProt
Q64727, P26231
Pockets
1 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVinculinprotein23980% helix, 1% strandQ64727
BCatenin alpha-1protein6461% helix, 0% strandP26231

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12630.580.7832empty

Interfaces

1 interface between chains.

  • A–B · 1884 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 5Y04 · Crystal Structure of the complex between the vinculin D1 domain and alphaE-catenin · the same entry in another collection · chain A against A, TM-score 1.00
  • Q64727 · AlphaFold monomer V2.0 prediction for vinculin (Q64727) · a predicted model of the same protein · chain A against A, TM-score 0.89
  • P26231 · AlphaFold monomer V2.0 prediction for catenin alpha-1 (P26231) · a predicted model of the same protein · chain B against A, TM-score 0.53

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