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MolNFT v1 · #124560 · protein

The structure of vioxx bound to human COX-2

5KIR: “The structure of vioxx bound to human COX-2”. X-ray diffraction, 6 ligands (RCX, COH, NAG). MolNFT v1 #124560 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5KIR
Type
protein
Length
1,102 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P35354
Ligands
RCX, COH, NAG, MAN, PO4, NH4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein551—P35354

Ligands and binding sites

  • RCX · Rofecoxib · ligand · 2 copies · chains A, B
  • COH · Protoporphyrin IX containing co · ligand · 2 copies · chains A, B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 2 copies
  • PO4 · Phosphate ion · ion · 6 copies · chains A, B
  • NH4 · Ammonium ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Compared structures

  • 5KIR · The Structure of Vioxx Bound to Human COX-2 · the same entry in another collection · chain A against A, TM-score 1.00
  • P35354 · AlphaFold monomer V2.0 prediction for prostaglandin G/H synthase 2 (P35354) · a predicted model of the same protein · chain A against A, TM-score 1.00

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