Structure of PDB 8oie Chain F Binding Site BS01

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 IDS5Q
InChIInChI=1S/C.8Fe.9S/q+2;;;;;;;;;;;;6*-1
InChIKeyARHQIUGQOSHZFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0[C+2]12345[Fe]67S[Fe]18[S-]9[Fe]21S[Fe]32[S-]6[Fe]3[S-]7[Fe]4([S-]23)S[Fe]52[S-]8[Fe]9[S-]12
CACTVS 3.385S1[Fe]23[S-]4[Fe]5[S-]2[Fe]67S[Fe]89[S-]%10[Fe]%11[S-]%12[Fe]1%10[C++]368%13[Fe]4(S[Fe]%12%13[S-]9%11)[S-]57
FormulaC Fe8 S9
NameFeFe cofactor
ChEMBL
DrugBank
ZINC
PDB chain8oie Chain F Residue 601 [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)		V57 K83 H180 Y211 C257 R259 S260 G336 G337 S338 K339 F362 H423
Binding residue
(residue number reindexed from 1)		V56 K82 H179 Y210 C256 R258 S259 G335 G336 S337 K338 F361 H422
Annotation score2
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
View graph for
Biological Process
External links
PDB RCSB:8oie, PDBe:8oie, PDBj:8oie
PDBsum8oie
PubMed38062208
UniProtD5ANJ7

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