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MolNFT v1 · #149738 · protein

Structure of E. COLI hydrogenase-1 C19G variant in complex with cytochrome B

6G94: “Structure of E. COLI hydrogenase-1 C19G variant in complex with cytochrome B”. X-ray diffraction, 8 ligands (SF4, F3S, ER2). MolNFT v1 #149738 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6G94
Type
protein
Length
3,834 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P69739, P0ACD8, P0AAM1
Ligands
SF4, F3S, ER2, FCO, HEM, NI, MG, CL

Structure

x-ray diffraction · 7 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
S—protein296—P69739
L, M, J, K—protein581—P0ACD8
T—protein296—P69739
Q—protein295—P69739
R—protein291—P69739
A—protein172—P0AAM1
B—protein160—P0AAM1

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · 4 copies · chains S, T, Q, R
  • F3S · FE3-S4 cluster · ligand · 4 copies · chains S, L, T, M, Q, J, R, K
  • ER2 · Fe4S4 · ligand · 4 copies · chains S, L, T, M, Q, J, R, K
  • FCO · Carbonmonoxide-(dicyano) iron · ligand · 4 copies · chains L, M, J, K
  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • NI · Nickel (II) ion · metal · 4 copies · chains L, M, J, K
  • MG · Magnesium ion · metal · 4 copies · chains L, M, J, K
  • CL · Chloride ion · ion · 4 copies · chains L, M, J, K

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

Compared structures

  • 6G94 · Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b · the same entry in another collection · chain B against B, TM-score 1.00
  • P0ACD8 · AlphaFold monomer V2.0 prediction for hydrogenase-1 large chain (P0ACD8) · a predicted model of the same protein · chain L against A, TM-score 1.00
  • P69739 · AlphaFold monomer V2.0 prediction for hydrogenase-1 small chain (P69739) · a predicted model of the same protein · chain Q against A, TM-score 0.99

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