Structure of PDB 8pvm Chain A Binding Site BS03

Receptor Information
>8pvm Chain A (length=573) Species: 1501 (Clostridium pasteurianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTIIINGVQFNTDEDTTILKFARDNNIDISALCFLNNCNNDINKCEICT
VEVEGTGLVTACDTLIEDGMIINTNSDAVNEKIKSRISQLLDIHEFKCGP
CNRRENCEFLKLVIKYKARASKPFLPKDKTEYVDERSKSLTVDRTKCLLC
GRCVNACGKNTETYAMKFLNKNGKTIIGAEDEKCFDDTNCLLCGQCIIAC
PVAALSEKSHMDRVKNALNAPEKHVIVAMAPSVRASIGELFNMGFGVDVT
GKIYTALRQLGFDKIFDINFGADMTIMEEATELVQRIENNGPFPMFTSDC
PGWVRQAENYYPELLNNLSSAKSPQQIFGTASKTYYPSISGLDPKNVFTV
TVMPCTSKKFEADRPQMEKDGLRDIDAVITTRELAKMIKDAKIPFAKLED
SEADPAMGEYSGAGAIFGATGGVMEAALRSAKDFAENAELEDIEYKQVRG
LNGIKEAEVEINNNKYNVAVINGASNLFKFMKSGMINEKQYHFIEVMACH
GGCVNGGGQPHVNPKDLEKVDIKKVRASVLYNQDEHLSKRKSHENTALVK
MYQNYFGKPGEGRAHEILHFKYK
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 chain8pvm Chain A Residue 603 [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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PDB8pvm Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases
Resolution1.38 Å
Binding residue
(original residue number in PDB)		C157 T161 A165 M166 C190 L191 L192 C193 G194 C196
Binding residue
(residue number reindexed from 1)		C157 T161 A165 M166 C190 L191 L192 C193 G194 C196
Annotation score3
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
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8pvm, PDBe:8pvm, PDBj:8pvm
PDBsum8pvm
PubMed37983562
UniProtP29166|PHF1_CLOPA Iron hydrogenase 1

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