Structure of PDB 7qv7 Chain Z Binding Site BS04

Receptor Information
>7qv7 Chain Z (length=448) Species: 2325 (Thermoanaerobacter kivui) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIINIDQELCTGCRRCAEVCPVDAIEGEKGKPQKINTEVCVMCGQCVQKC
SSYASYFDESITPRNVKLQERGMLDSVKEPLFAAYNLGYARQVKEALENP
QLFKVVQCAPAIRVSIAEEFGLDLGDLTPGKLVAALRRLNFDRVYDTNFG
ADLTIIEEANELVKRIKEGKDLPMFTSCCPAWVKFAEQTYPELLKHISTC
KSPQQMTGAIIKTYGAKINNVDPAKIFSVSVMPCTCKSYESDRPEMRSSG
YKDVDLVITTRELAHLMKDKGIDFATLPDEEFDSPLGNYTGAATIFGNTG
GVMEAALRTAYELITKKPIPNIDIEFVRGGEGIRTATVQVGELELKIAVV
SGLKNVIPILEDIKKNKCDLHFVEVMTCPEGCISGGGQPKLLLAYKKRKE
ALYKHDAELELRKSHENPAIKKLYEEFLGEPLGKQSHHLLHTKYTPRK
Ligand information
Ligand ID402
InChIInChI=1S/C2H5NS2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h3H,1-2H2;;;;;;;/q;;;;2*+1;;
InChIKeyLJPDYWPSPOWMIB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C2[Fe]1(C#N)(C#[O+])S3CNCS1[Fe]23(C#[O+])C#N
CACTVS 3.385O=C1[Fe](SCNCS[Fe]1(C#N)C#[O+])(C#N)C#[O+]
OpenEye OEToolkits 1.9.2C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]
FormulaC7 H5 Fe2 N3 O3 S2
Namedicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)
ChEMBL
DrugBank
ZINC
PDB chain7qv7 Chain Z Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7qv7 Membrane-anchored HDCR nanowires drive hydrogen-powered CO 2 fixation.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		P115 C183 P208 M237 C239 K242 F301 M381 C387
Binding residue
(residue number reindexed from 1)		P110 C178 P203 M232 C234 K237 F296 M376 C382
Annotation score1
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

View graph for
Molecular Function
External links
PDB RCSB:7qv7, PDBe:7qv7, PDBj:7qv7
PDBsum7qv7
PubMed35859174
UniProtA0A097ATH7

[Back to BioLiP]