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MolNFT v1 · #138557 · protein

Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1

5WMV: “Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1”. X-ray diffraction, 3 ligands (HEM, ZCW, CYN). MolNFT v1 #138557 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5WMV
Type
protein
Length
763 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P14902
Ligands
HEM, ZCW, CYN

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein382—P14902
B—protein381—P14902

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • ZCW · 2-(1H-indol-3-yl)ethanol · ligand · 2 copies · chains A, B
  • CYN · Cyanide ion · ion · 2 copies · chains A, B

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

Compared structures

  • 5WMV · Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine… · the same entry in another collection · chain A against A, TM-score 1.00
  • P14902 · AlphaFold monomer V2.0 prediction for indoleamine 2,3-dioxygenase 1 (P14902) · a predicted model of the same protein · chain B against A, TM-score 0.99

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