Structure of PDB 4wes Chain B Binding Site BS02

Receptor Information
>4wes Chain B (length=458) Species: 1262449 (Clostridium pasteurianum DSM 525 = ATCC 6013) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDATPKEIVERKALRINPAKTCQPVGAMYAALGIHNCLPHSHGSQGCCS
YHRTVLSRHFKEPAMASTSSFTEGASVFGGGSNIKTAVKNIFSLYNPDII
AVHTTCLSETLGDDLPTYISQMEDAGSIPEGKLVIHTNTPSYVGSHVTGF
ANMVQGIVNYLSENTGAKNGKINVIPGFVGPADMREIKRLFEAMDIPYIM
FPDTSGVLDGPTTGEYKMYPEGGTKIEDLKDTGNSDLTLSLGSYASDLGA
KTLEKKCKVPFKTLRTPIGVSATDEFIMALSEATGKEVPASIEEERGQLI
DLMIDAQQYLQGKKVALLGDPDEIIALSKFIIELGAIPKYVVTGTPGMKF
QKEIDAMLAEAGIEGSKVKVEGDFFDVHQWIKNEGVDLLISNTYGKFIAR
EENIPFVRFGFPIMDRYGHYYNPKVGYKGAIRLVEEITNVILDKIERECT
EEDFEVVR
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain4wes Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wes Nitrogenase MoFe protein from Clostridium pasteurianum at 1.08 angstrom resolution: comparison with the Azotobacter vinelandii MoFe protein.
Resolution1.08 Å
Binding residue
(original residue number in PDB)		D301 D305
Binding residue
(residue number reindexed from 1)		D301 D305
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C106 T110
Catalytic site (residue number reindexed from 1) C106 T110
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:0051536 iron-sulfur cluster binding
Biological Process
GO:0009399 nitrogen fixation
Cellular Component
GO:0016612 molybdenum-iron nitrogenase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4wes, PDBe:4wes, PDBj:4wes
PDBsum4wes
PubMed25664737
UniProtP11347|NIFK_CLOPA Nitrogenase molybdenum-iron protein beta chain (Gene Name=nifK)

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