Structure of PDB 7aiz Chain D Binding Site BS01

Receptor Information
>7aiz Chain D (length=473) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMVLLECDKDIPERQKHIYLKAPNEDTREFLPIANAATIPGTLSERGCAF
CGAKLVIGGVLKDTIQMIHGPLGCAYDTWHTKRYPTDNGHFNMKYVWSTD
MKESHVVFGGEKRLEKSMHEAFDEMPDIKRMIVYTTCPTALIGDDIKAVA
KKVMKDRPDVDVFTVECPGFSGVSQSKGHHVLNIGWINEKVETMEKEITS
EYTMNFIGDFNIQGDTQLLQTYWDRLGIQVVAHFTGNGTYDDLRCMHQAQ
LNVVNCARSSGYIANELKKRYGIPRLDIDSWGFNYMAEGIRKICAFFGIE
EKGEELIAEEYAKWKPKLDWYKERLQGKKMAIWTGGPRLWHWTKSVEDDL
GVQVVAMSSKFGHEEDFEKVIARGKEGTYYIDDGNELEFFEIIDLVKPDV
IFTGPRVGELVKKLHIPYVNGHGYHNGPYMGFEGFVNLARDMYNAVHNPL
RHLAAVDIRDKSQTTPVIVRGAA
Ligand information
Ligand IDD6N
InChIInChI=1S/C.7Fe.HN.7S.V/h;;;;;;;;1H;;;;;;;;
InChIKeyYNVNIECPQFRAMK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81
CACTVS 3.385N[Fe]1S[V]2S[Fe][C]1345[Fe]S[Fe]3S[Fe]S[Fe]4S[Fe]5S2
FormulaC Fe7 N S7 V
NameFeV
ChEMBL
DrugBank
ZINC
PDB chain7aiz Chain D 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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PDB7aiz Two ligand-binding sites in CO-reducing V nitrogenase reveal a general mechanistic principle.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		V57 K83 F211 C257 S260 G336 P338 R339 F362 H423
Binding residue
(residue number reindexed from 1)		V56 K82 F210 C256 S259 G335 P337 R338 F361 H422
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C49 C52 K83 H180
Catalytic site (residue number reindexed from 1) C48 C51 K82 H179
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:0051212 vanadium 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:7aiz, PDBe:7aiz, PDBj:7aiz
PDBsum7aiz
PubMed34049880
UniProtP16855|VNFD_AZOVI Nitrogenase vanadium-iron protein alpha chain (Gene Name=vnfD)

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