Structure of PDB 2kkd Chain A Binding Site BS01

Receptor Information
>2kkd Chain A (length=52) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKYVCTVCGYEYDPAEGDPDNGVKPGTSFDDLPADWVCPVCGAPKSEFE
AA
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain2kkd Chain A Residue 53 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2kkd An NMR structural study of nickel-substituted rubredoxin
ResolutionN/A
Binding residue
(original residue number in PDB)		C6 C9 C39 C42
Binding residue
(residue number reindexed from 1)		C6 C9 C39 C42
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
Biological Process
GO:0043448 alkane catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2kkd, PDBe:2kkd, PDBj:2kkd
PDBsum2kkd
PubMed19997764
UniProtP00269|RUBR_NITV2 Rubredoxin (Gene Name=rub)

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