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MolNFT v1 · #26551 · protein

Crystal structure of axin dix domain

1WSP · Axin 1 protein: “Crystal structure of axin dix domain”. X-ray diffraction, 2 ligands (BEZ, HG), 1 pocket (best druggability 0.44). MolNFT v1 #26551 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1WSP
Type
protein
Length
251 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Axin 1 protein
Ligands
BEZ, HG
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAxin 1 proteinprotein838% helix, 45% strand—
B, CAxin 1 proteinprotein848% helix, 44% strand—

Ligands and binding sites

  • BEZ · Benzoic acid · ligand · chains A
  • HG · Mercury (II) ion · metal · 9 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11570.440.7527empty

Interfaces

2 interfaces between chains.

  • B–C · 852 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 424 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1WSP · Crystal structure of axin dix domain · the same entry in another collection · chain A against A, TM-score 1.00

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