Structure of PDB 8vcw Chain A Binding Site BS02

Receptor Information
>8vcw Chain A (length=327) Species: 40520 (Blautia obeum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNPLTLAQEIIDGRRITREDDLSFFLTCDLDELCEGADRIREACIGDKVD
LCSIINGRSGRCPEDCKYCAQSAHHHTSCEVYNFLPEEKILEACKMNESE
GVDRFSIVTAGKALTGKEFDQAIHAYETMHRECKIDLCASMGFISAEQLH
RLHEAGVTSYHHNIETSRRNFPNICTTHTYDMKIETLKKVKAEGMCACSG
GIIGMGETWEDRLDMAISLAELGIDSIPINALMPIPGTPLEHLPELSEPD
ILRTIAFFRYINPEANIRLAAGRALLTNDGETAFKAGASASITGNMLTTV
ACATIRSDRKMLADMGRDVTPEYWKEV
Ligand information
Ligand IDQ46
InChIInChI=1S/4Fe.H2S.4S/h;;;;1H2;;;;/q;;;+1;;4*+1/p-1
InChIKeyIBBAXWHZAAYJDG-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25
CACTVS 3.385S[Fe]12[S+]3[Fe]4[S+]5[Fe]3[S+]1[Fe]5[S+]24
FormulaFe4 H S5
NameFe4 H S5
ChEMBL
DrugBank
ZINC
PDB chain8vcw Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8vcw X-Ray Crystal Structure of the biotin synthase from B. obeum
Resolution1.35 Å
Binding residue
(original residue number in PDB)		C52 R104 S106 C138 H161 C198 R268
Binding residue
(residue number reindexed from 1)		C52 R104 S106 C138 H161 C198 R268
Annotation score2
Enzymatic activity
Enzyme Commision number 2.8.1.6: biotin synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004076 biotin synthase activity
GO:0005506 iron ion binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009102 biotin biosynthetic process
GO:0042364 water-soluble vitamin biosynthetic process
GO:0044272 sulfur compound biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8vcw, PDBe:8vcw, PDBj:8vcw
PDBsum8vcw
PubMed38215281
UniProtA5ZUL4

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