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MolNFT v1 · #176719 · protein

PYRI4 in complex with intermolecular diels-alder product

7DVK: “PYRI4 in complex with intermolecular diels-alder product”. X-ray diffraction, 1 ligand (HOF). MolNFT v1 #176719 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7DVK
Type
protein
Length
652 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
K7QVW7
Ligands
HOF

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D—protein163—K7QVW7

Ligands and binding sites

  • HOF · methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate · ligand · 4 copies · chains A, B, C, D
  • GOL · Glycerol · additive · 4 copies · chains A, B, C, D

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

Compared structures

  • 7DVK · PyrI4 in complex with intermolecular Diels-Alder product · the same entry in another collection · chain A against A, TM-score 1.00
  • K7QVW7 · AlphaFold monomer V2.0 prediction for spiro-conjugate synthase (K7QVW7) · a predicted model of the same protein · chain A against A, TM-score 0.95

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