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MolNFT v1 · #169243 · protein

Crystal structure of CODH/ACS with carbon monoxide bound to the a- cluster

6X5K: “Crystal structure of CODH/ACS with carbon monoxide bound to the a- cluster”. X-ray diffraction, 5 ligands (SF4, XCC, NI). MolNFT v1 #169243 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6X5K
Type
protein
Length
5,598 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P27989, P27988
Ligands
SF4, XCC, NI, MG, CMO

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D—protein672—P27989
M, N, P—protein728—P27988
O—protein726—P27988

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · 10 copies · chains A, B, C, D, M, N, O, P
  • XCC · FE(4)-NI(1)-S(4) cluster · ligand · 4 copies · chains A, B, C, D
  • NI · Nickel (II) ion · metal · 8 copies · chains M, N, O, P
  • MG · Magnesium ion · metal · chains N
  • CMO · Carbon monoxide · ion · 3 copies · chains M, N, P
  • PGE · Triethylene glycol · additive · chains A, B
  • PG5 · 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane · additive · chains C, D

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

Compared structures

  • 6X5K · Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster · the same entry in another collection · chain P against P, TM-score 1.00
  • P27989 · AlphaFold monomer V2.0 prediction for carbon monoxide DEHYDROGENASE/ACETYL-CoA synthase… · a predicted model of the same protein · chain B against A, TM-score 1.00

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