Structure of PDB 1g21 Chain E Binding Site BS03

Receptor Information
>1g21 Chain E (length=268) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRQCAIYGKGGIGKSTTTQNLVAALAEMGKKVMIVGCDPKADSTRLILHS
KAQNTIMEMAAEAGTVEDLELEDVLKAGYGGVKCVESGGPEPGVGCAGRG
VITAINFLEEEGAYEDDLDFVFYDVGDVVCGGFAMPIRENKAQEIYIVCS
GEMMAMYAANNISKGIVKYANSGSVRLGGLICNSRNTDREDELIIALANK
LGTQMIHFVPRDNVVQRAEIRRMTVIEYDPKAKQADEYRALARKVVDNKL
LVIPNPITMDELEELLME
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 chain1g21 Chain F Residue 5290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g21 MgATP-Bound and nucleotide-free structures of a nitrogenase protein complex between the Leu 127 Delta-Fe-protein and the MoFe-protein.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C97 G99 C132
Binding residue
(residue number reindexed from 1)		C96 G98 C130
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K10 G12 K15 K41 D129
Catalytic site (residue number reindexed from 1) K9 G11 K14 K40 D127
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:1g21, PDBe:1g21, PDBj:1g21
PDBsum1g21
PubMed11170380
UniProtP00459|NIFH1_AZOVI Nitrogenase iron protein 1 (Gene Name=nifH1)

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