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MolNFT v1 · #183743 · protein

Complex-B bound [fefe]-hydrogenase maturase hyde fromt. maritima (wild-type protein)

7O1S · [fefe] hydrogenase maturase subunit hyde: “Complex-B bound [fefe]-hydrogenase maturase hyde fromt. maritima (wild-type protein)”. X-ray diffraction, 10 ligands (CPS, CYS, FES), 2 pockets (best druggability 0.87). MolNFT v1 #183743…

PDB
7O1S
Type
protein
Length
347 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
CPS, CYS, FES, SF4, SAH, FE2, CMO, H2S, CYN, IOD
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.-.-)protein34742% helix, 13% strandQ9X0Z6

Ligands and binding sites

  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 5 copies · chains A
  • CYS · Cysteine · ligand · chains A
  • FES · Fe2/s2 (inorganic) cluster · ligand · chains A
  • SF4 · Iron/sulfur cluster · ligand · chains A
  • SAH · S-adenosyl-L-homocysteine · ligand · chains A
  • FE2 · Fe (II) ion · metal
  • CMO · Carbon monoxide · ion · 2 copies · chains A
  • H2S · Hydrosulfuric acid · ion · 2 copies · chains A
  • CYN · Cyanide ion · ion · chains A
  • IOD · Iodide ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13930.870.9551CYS, FE2, CMO, CYN, SF4, SAH, IOD
2530.300.7615empty

Compared structures

  • 7O1S · Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Wild-type protein) · 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 1.00

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