Structure of PDB 2c8v Chain A Binding Site BS01

Receptor Information
>2c8v Chain A (length=271) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMRQCAIYGKGGIGKSTTTQNLVAALAEMGKKVMIVGCDPKADSTRLILH
SKAQNTIMEMAAEAGTVEDLELEDVLKAGYGGVKCVESGGPEPGVGCAGR
GVITAINFLEEEGAYEDDLDFVFYDVGDVVCGGFAMPIRENKAQEIYIVC
SGEMMAMYAANNISKGIVKYANSGSVRLGGLICNSRNTDREDELIIALAN
KLGTQMIHFVPRDNVVQRAEIRRMTVIEYDPKAKQADEYRALARKVVDNK
LLVIPNPITMDELEELLMEFG
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain2c8v Chain A Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c8v Insights Into the Role of Nucleotide-Dependent Conformational Change in Nitrogenase Catalysis: Structural Characterization of the Nitrogenase Fe Protein Leu127 Deletion Variant with Bound Mgatp.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C97 G272
Binding residue
(residue number reindexed from 1)		C97 G271
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K10 K15 K41 D129
Catalytic site (residue number reindexed from 1) K10 K15 K41 D128
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:2c8v, PDBe:2c8v, PDBj:2c8v
PDBsum2c8v
PubMed16616373
UniProtP00459|NIFH1_AZOVI Nitrogenase iron protein 1 (Gene Name=nifH1)

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