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MolNFT v1 · #183739 · protein

Complex-B bound [fefe]-hydrogenase maturase hyde fromt. maritima (auxiliary cluster deleted variant)

7O1O · [fefe] hydrogenase maturase subunit hyde: “Complex-B bound [fefe]-hydrogenase maturase hyde fromt. maritima (auxiliary cluster deleted variant)”. X-ray diffraction, 9 ligands (CYS, PYR, SAH), 2 pockets (best druggability 0.87).…

PDB
7O1O
Type
protein
Length
356 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
[fefe] hydrogenase maturase subunit hyde
EC
1.8.-.-
UniProt
Q9X0Z6
Ligands
CYS, PYR, SAH, SF4, FE2, PO4, CMO, CYN, CL
Pockets
2 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A[fefe] hydrogenase maturase subunit hyde (EC 1.8.-.-)protein35642% helix, 13% strandQ9X0Z6

Ligands and binding sites

  • CYS · Cysteine · ligand · chains A
  • PYR · Pyruvic acid · ligand · chains A
  • SAH · S-adenosyl-L-homocysteine · ligand · chains A
  • SF4 · Iron/sulfur cluster · ligand · chains A
  • FE2 · Fe (II) ion · metal · chains A
  • PO4 · Phosphate ion · ion · 5 copies · chains A
  • CMO · Carbon monoxide · ion · 2 copies · chains A
  • CYN · Cyanide ion · ion · chains A
  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13950.870.9650CYS, FE2, CMO, CYN, SAH, CL, SF4
22300.550.7927PO4

Compared structures

  • 7O1O · Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Auxiliary cluster… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X0Z6 · AlphaFold monomer V2.0 prediction for [fefe] hydrogenase maturase subunit hyde (Q9X0Z6) · a predicted model of the same protein · chain A against A, TM-score 0.97

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