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MolNFT v1 · #124353 · protein

Horse liver S48T alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol

5KCP: “Horse liver S48T alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol”. X-ray diffraction, 3 ligands (PFB, NAJ, ZN). MolNFT v1 #124353 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5KCP
Type
protein
Length
748 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00327
Ligands
PFB, NAJ, ZN

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein374—P00327

Ligands and binding sites

  • PFB · 2,3,4,5,6-pentafluorobenzyl alcohol · ligand · 4 copies · chains A, B
  • NAJ · Nicotinamide-adenine-dinucleotide (acidic form) · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • MRD · (4R)-2-methylpentane-2,4-diol · additive · 4 copies · chains A, B

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

Compared structures

  • 5KCP · horse liver S48T alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol · the same entry in another collection · chain A against A, TM-score 1.00
  • P00327 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase E chain (P00327) · a predicted model of the same protein · chain B against A, TM-score 1.00

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