Structure of PDB 3pdi Chain H Binding Site BS01

Receptor Information
>3pdi Chain H (length=432) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IINRNKALAVSPLKASQTMGAALAILGLARSMPLFHGSQGCTAFAKVFFV
RHFREPVPLQTTAMDQVSSVMGADENVVEALKTICERQNPSVIGLLTTGL
SETQGCDLHTALHEFRTQYEEYKDVPIVPVNTPDFSGCFESGFAAAVKAI
VETLVPERRDQVGKRPRQVNVLCSANLTPGDLEYIAESIESFGLRPLLIP
DLSGSLDGHLDENRFNALTTGGLSVAELATAGQSVATLVVGQSLAGAADA
LAERTGVPDRRFGMLYGLDAVDAWLMALAEISGNPVPDRYKRQRAQLQDA
MLDTHFMLSSARTAIAADPDLLLGFDALLRSMGAHTVAAVVPARAAALVD
SPLPSVRVGDLEDLEHAARAGQAQLVIGNSHALASARRLGVPLLRAGFPQ
YDLLGGFQRCWSGYRGSSQVLFDLANLLVEHH
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 chain3pdi Chain G Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pdi Structure of Precursor-Bound NifEN: A Nitrogenase FeMo Cofactor Maturase/Insertase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S41 G43 C44 F47
Binding residue
(residue number reindexed from 1)		S38 G40 C41 F44
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) G102 T106
Catalytic site (residue number reindexed from 1) G99 T103
Enzyme Commision number ?
Gene Ontology
Molecular Function
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
GO:0065003 protein-containing complex assembly

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Molecular Function
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Biological Process
External links
PDB RCSB:3pdi, PDBe:3pdi, PDBj:3pdi
PDBsum3pdi
PubMed21212358
UniProtC1DH04

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