Structure of PDB 8c0z Chain A Binding Site BS01

Receptor Information
>8c0z Chain A (length=616) Species: 551760 (Aromatoleum aromaticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGWNRKVLRVNLAEGTCTPEPLNMQWADEYLGSRGLATKYLVSETDPKVD
PLSPDNKMIMATGPLTGTMASTGGRYTVVTKGPLTGAIACSNSGGFFGAE
MKFAGWDMVIFEGRSPTPVYLFIENERAELRDASYLWGRSCWETEESIRA
QHQDPLIRVSSIGRAGENQVMFACIVNDLHRAAGRSGVGAVMGSKNLKAV
AIRGTKGVSGIRDFPGFVRATSEAKKVLAGNPVTSEGLPKFGTQVLMNVI
NEMGALPTRNHRDVQFEDASKISAEAMHEKRPSDGKPQLVTNAACFGCTI
ACGRISAIDKTHFTVKNNPKYWGASGGLEYEAAWALGAANGVGDLEALQY
ANLLCNEQGMDPISFGATVGAAMELYETGVLTKERIGLDAPFGSADALAK
LAEMTATGEGFGKEIGLGSKRLCEKYGHPELSMSVKGQEFPAYDSRGIQG
MGLAYATSNRGACHLRGYTVASEVLGVPVKTDPHVIEGKAELVKAFQDAT
AVFDSAGICVFTSFAWTLADVQPQIAAACDGDWSMDKLATVGERIWNMER
QFNNAAGLGAQDDNLPPRLTSEPAKSGPAKGMVNRLAEMLPEYYGVRGWT
PEGTPTPETLSRLGLS
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8c0z Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8c0z A bacterial tungsten-containing aldehyde oxidoreductase forms an enzymatic decorated protein nanowire.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		R181 C295 C298 C302 C509
Binding residue
(residue number reindexed from 1)		R181 C295 C298 C302 C509
Annotation score4
Enzymatic activity
Enzyme Commision number 1.2.7.-
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8c0z, PDBe:8c0z, PDBj:8c0z
PDBsum8c0z
PubMed37267359
UniProtQ5P143

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