Structure of PDB 8oie Chain F Binding Site BS02

Receptor Information
>8oie Chain F (length=520) Species: 272942 (Rhodobacter capsulatus SB 1003) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYHEFEVSKCIPERREHAVMKAAGEDLTSCLPKGYLNTIPGTISERGCAY
CGAKHVIGTPMKDVIHISHGPNGCTYDTWQTKRYISDNDNFQLKYTFATD
VKEKHVVFGAEGLLKKSMHEAFDAFPNIKRMTVYQTCTTALIGDDVDAIA
KEVMEERGDVDVFVCNSPGFAGPSQSGGHHKINIAWLNQKVGTVEPDYLG
EHVINYVGEYNIQGDQEVMIDYFNRMGIQVLSTFTGNGSYDSLRMMHRAH
LNVLECARSAEYICDELRARYGIPRLDIDGFGFEPLANSLRKVALFFGIE
DKAEAIIAEEYAKWKPQLDWYKERLKGKKVCLWPGGSKLWHWAHAIEEEM
GLKVVSVYTKFGHQGDMEKGVSRCGEGALAIDDPNELESVEAIEMLKPDI
IFTGKRPGEFVKKHGVPYLNAHAYHNGPYKGFEGWVRFARDIYNAIYSPM
RQLAALDISAPDAAITSGFRTAKMNADLTVSDEVKFSEVLHEYTGKYDSI
AEIRARNQAYAAEQKALRDA
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 chain8oie Chain H Residue 501 [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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PDB8oie Structural insights into the iron nitrogenase complex
Resolution2.35 Å
Binding residue
(original residue number in PDB)		C49 Y51 G74 C75 C138 G170
Binding residue
(residue number reindexed from 1)		C48 Y50 G73 C74 C137 G169
Annotation score3
Enzymatic activity
Enzyme Commision number 1.18.6.1: nitrogenase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016163 nitrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
Biological Process
GO:0009399 nitrogen fixation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8oie, PDBe:8oie, PDBj:8oie
PDBsum8oie
PubMed38062208
UniProtD5ANJ7

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