Structure of PDB 1cp2 Chain B Binding Site BS01

Receptor Information
>1cp2 Chain B (length=269) Species: 1501 (Clostridium pasteurianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRQVAIYGKGGIGKSTTTQNLTSGLHAMGKTIMVVGCDPKADSTRLLLGG
LAQKSVLDTLREEGEDVELDSILKEGYGGIRCVESGGPEPGVGCAGRGII
TSINMLEQLGAYTDDLDYVFYDVLGDVVCGGFAMPIREGKAQEIYIVASG
EMMALYAANNISKGIQKYAKSGGVRLGGIICNSRKVANEYELLDAFAKEL
GSQLIHFVPRSPMVTKAEINKQTVIEYDPTCEQAEEYRELARKVDANELF
VIPKPMTQERLEEILMQYG
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 chain1cp2 Chain B Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1cp2 Conformational variability in structures of the nitrogenase iron proteins from Azotobacter vinelandii and Clostridium pasteurianum.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		C94 A95 C129 G131
Binding residue
(residue number reindexed from 1)		C94 A95 C129 G131
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K9 K14 K40 D126
Catalytic site (residue number reindexed from 1) K9 K14 K40 D126
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:1cp2, PDBe:1cp2, PDBj:1cp2
PDBsum1cp2
PubMed9677296
UniProtP00456|NIFH1_CLOPA Nitrogenase iron protein 1 (Gene Name=nifH1)

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