Structure of PDB 6za1 Chain A Binding Site BS03

Receptor Information

>6za1 Chain A (length=279) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough)

GERPPVFWLQGQGCTGCSVTLLNSVHPSIADVLLKVISLEFHPTVMAWEG
EHAIEHMRKVAEKFKGKFFLVIEGSVPVEADGKYCIIGEANHHEISMVDA
LKEFGPNAAAVLAVGTCAAYGGIPAAEGSETGATAVSKFLGDNGIKTPVV
NIPGCPPHPDWIVGTVVLALDAIKKNGLEGGLAEVVKVLDSDGRPTPFFG
RNIHENCPYLDKYDEGVMSATFTDKVGCRYDLGCKGPMTMADCFERKWNG
GVNWCVQNAVCIGCVEPDFPDGKSPFYQA

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 6za1 Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6za1 Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
• Resolution: 1.37 Å
• Binding residue (original residue number in PDB): G17 C18 G20 C21 G119 C121 C159 P160
• Binding residue (residue number reindexed from 1): G13 C14 G16 C17 G115 C117 C155 P156
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C18 C21 C121 C159 H208 C211 C232 C238 C247 C259 C265 C268
• Catalytic site (residue number reindexed from 1): C14 C17 C117 C155 H204 C207 C228 C234 C243 C255 C261 C264
• Enzyme Commision number: 1.12.2.1: cytochrome-c3 hydrogenase.

Gene Ontology

Molecular Function

• GO:0008901 ferredoxin hydrogenase activity
• GO:0051536 iron-sulfur cluster binding

Cellular Component

• GO:0009375 ferredoxin hydrogenase complex

External links

• PDB: RCSB:6za1, PDBe:6za1, PDBj:6za1
• PDBsum: 6za1
• PubMed: 32865640
• UniProt: Q72AS4