Structure of PDB 6q93 Chain B Binding Site BS01

Receptor Information
>6q93 Chain B (length=274) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALRQCAIYGKGGIGKSTTTQNLVAALAEAGKKVMIVGCDPKADSTRLILH
SKAQGTVMEMAASAGSVEDLELEDVLQIGFGGVKCVESGGPEPGVGCAGR
GVITAINFLEEEGAYSDDLDFVFYDVLGDVVCGGFAMPIRENKAQEIYIV
CSGEMMAMYAANNIAKGIVKYAHSGSVRLGGLICNSRKTDREDELIMALA
AKIGTQMIHFVPRDNVVQHAEIRMTVIEYDPKAGQADEYRALARKIVDNK
LLVIPNPASMEELEELLMEFGIME
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6q93 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6q93 Crystal structure of VnfH, the iron protein component of vanadium nitrogenase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C98 A99 C133 G134
Binding residue
(residue number reindexed from 1)		C97 A98 C132 G133
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K11 K16 K42 D130
Catalytic site (residue number reindexed from 1) K10 K15 K41 D129
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:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009399 nitrogen fixation

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Molecular Function
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Biological Process
External links
PDB RCSB:6q93, PDBe:6q93, PDBj:6q93
PDBsum6q93
PubMed30141094
UniProtC1DI30

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