Structure of PDB 8a5e Chain B Binding Site BS03

Receptor Information

>8a5e Chain B (length=447) Species: 931626 (Acetobacterium woodii DSM 1030)

VDVINEVKASGLRGRGGGGFPTGLKWQFAHDAVSEDGIKYVACNADEGDP
GAFMDRSVLEGDPHAVIEAMAIAGYAVGASKGYVYVRAEYPIAVNRLQIA
IDQAKEYGILGENIFETDFSFDLEIRLGAGAFVCGEETALMNSIEGKRGE
PRPRPPFPANKGLFGKPTVLNNVETYANIPKIILNGAEWFASVGTEKSKG
TKVFALGGKINNTGLLEIPMGTTLREIIYEIGGGIPNGKAFKAAQTGGPS
GGCLPESLLDTEIDYDNLIAAGSMMGSGGLIVMDEDNCMVDVARFFLDFT
QDESCGKCPPCRIGTKRMLEILERICDGKGVEGDIERLEELAVGIKSSAL
CGLGQTAPNPVLSTIRFFRDEYEAHIRDKKCPAGVCKHLLDFKINADTCK
GCGICAKKCPADAISGEKKKPYNIDTSKCIKCGACIEACPFGSISKA

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: 8a5e Chain B Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8a5e Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): C551 G553 C554 G555 C557 C591 P592 I596
• Binding residue (residue number reindexed from 1): C399 G401 C402 G403 C405 C439 P440 I444
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.12.7.2: ferredoxin hydrogenase.

Gene Ontology

Molecular Function

• GO:0008137 NADH dehydrogenase (ubiquinone) activity
• GO:0008901 ferredoxin hydrogenase activity
• GO:0010181 FMN binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:1902600 proton transmembrane transport

External links

• PDB: RCSB:8a5e, PDBe:8a5e, PDBj:8a5e
• PDBsum: 8a5e
• PubMed: 36811855
• UniProt: H6LFG4