Structure of PDB 7qv7 Chain R Binding Site BS03

Receptor Information

>7qv7 Chain R (length=448) Species: 2325 (Thermoanaerobacter kivui)

AIINIDQELCTGCRRCAEVCPVDAIEGEKGKPQKINTEVCVMCGQCVQKC
SSYASYFDESITPRNVKLQERGMLDSVKEPLFAAYNLGYARQVKEALENP
QLFKVVQCAPAIRVSIAEEFGLDLGDLTPGKLVAALRRLNFDRVYDTNFG
ADLTIIEEANELVKRIKEGKDLPMFTSCCPAWVKFAEQTYPELLKHISTC
KSPQQMTGAIIKTYGAKINNVDPAKIFSVSVMPCTCKSYESDRPEMRSSG
YKDVDLVITTRELAHLMKDKGIDFATLPDEEFDSPLGNYTGAATIFGNTG
GVMEAALRTAYELITKKPIPNIDIEFVRGGEGIRTATVQVGELELKIAVV
SGLKNVIPILEDIKKNKCDLHFVEVMTCPEGCISGGGQPKLLLAYKKRKE
ALYKHDAELELRKSHENPAIKKLYEEFLGEPLGKQSHHLLHTKYTPRK

Ligand information

• Ligand ID: 402
• InChI: InChI=1S/C2H5NS2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h3H,1-2H2;;;;;;;/q;;;;2*+1;;
• InChIKey: LJPDYWPSPOWMIB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=C2[Fe]1(C#N)(C#[O+])S3CNCS1[Fe]23(C#[O+])C#N
  CACTVS 3.385: O=C1[Fe](SCNCS[Fe]1(C#N)C#[O+])(C#N)C#[O+]
  OpenEye OEToolkits 1.9.2: C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]
• Formula: C7 H5 Fe2 N3 O3 S2
• Name: dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)
• PDB chain: 7qv7 Chain R Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7qv7 Membrane-anchored HDCR nanowires drive hydrogen-powered CO 2 fixation.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): P115 C183 P208 M237 P238 K242 F301 C387
• Binding residue (residue number reindexed from 1): P110 C178 P203 M232 P233 K237 F296 C382
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.12.7.2: ferredoxin hydrogenase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0008901 ferredoxin hydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding

External links

• PDB: RCSB:7qv7, PDBe:7qv7, PDBj:7qv7
• PDBsum: 7qv7
• PubMed: 35859174
• UniProt: A0A097ATH7