Structure of PDB 8pbb Chain D Binding Site BS01

Receptor Information
>8pbb Chain D (length=443) Species: 272942 (Rhodobacter capsulatus SB 1003) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTQKAREGTINPIFTCQPAGAQFASIGIKDCIGIVHGGQGCVMFVRLLIS
QHMKESFEIASSSVALDRVETAVEVLLTRYPDVKVVPIITTCSTDVDGLL
SKLEDELLPTKFPGREVHLLTVHCPSFVGSMITGYDKAVHDFVKKFATKD
EPSDKINLITGWVNPGDVKELKHLLEVMEVKANVLFEVESFDSPLMPDLE
HHSHGSTTIEDLRDTANAKGTIALNRYEGMKAADYLKKKFKVPAVIGPTP
VGIRNTDAFLKAVSEMTGQPIPAQLVKERGLALDAIADIGHMFLADKRVA
IYANPDLAIGLTEFCLDLEMKPKLLLLGDDNSGYVKDPRVLALQENAPDL
EIVTNADFWDLESRIQQGLELDLILGHSKGRFISIDYKVPMVRVGFPTYD
RAGMYRHPVLGYGGAMFLAETMANTLFADMEAKKNKEWILNVW
Ligand information
Ligand IDCLF
InChIInChI=1S/8Fe.7S
InChIKeyJKVMXLBGZBULKV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
CACTVS 3.385S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
FormulaFe8 S7
NameFE(8)-S(7) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8pbb Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pbb Structural insights into the iron nitrogenase complex
Resolution2.49 Å
Binding residue
(original residue number in PDB)		C20 C45 T103 C104 S143
Binding residue
(residue number reindexed from 1)		C16 C41 T91 C92 S126
Annotation score3
Enzymatic activity
Enzyme Commision number 1.18.6.1: nitrogenase.
Gene Ontology
Molecular Function
GO:0016163 nitrogenase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0009399 nitrogen fixation

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Molecular Function
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Biological Process
External links
PDB RCSB:8pbb, PDBe:8pbb, PDBj:8pbb
PDBsum8pbb
PubMed38062208
UniProtD5ANJ9

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