Structure of PDB 2noo Chain A Binding Site BS01

Receptor Information
>2noo Chain A (length=496) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEITTAWPVNVGPLNPHLATPNQMFAQSMVYEPLVKYQADGSVIPWLAKS
WTHSEDGKTWTFTLRDDVKFSNGEPFDAEAAAENFRAVLDNRQAHAALEL
ANQIVDVKALSKTELQITLKSAYYPFLQELALPAPFRFIAPSQFKNHETM
NGIKAPIGTGPWILQESKLNQYDVFVRNENYWGEKPAIKKITFNVIPDPT
TRAVAFETGDIDLLYGNEGLLPLDTFARFSQNPAYHTQLSQPIETVMLAL
NTAKAPTNELAVREALNYAVNKKSLIDNALYGTQQVADTLFAPSVPYANL
GLKPSQYDPQKAKALLEKAGWTLPAGKDIREKNGQPLRIELSFIGTDALS
KSMAEIIQADMRQIGADVSLIGEEESSIYARQRDGRFGMIFHRTAGAPAD
PHAFLSSMRVPSHADFQAQQGLADKPLIDKEIGEVLATHDETQRQALYRD
ILTRLHDEAVYLPISYISMMVVSKPELGNIPYAPIATEIPFEQIKP
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 chain2noo Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2noo Nickel binding to NikA: an additional binding site reconciles spectroscopy, calorimetry and crystallography.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H56 H442
Binding residue
(residue number reindexed from 1)		H53 H439
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.3.24: Transferred entry: 7.2.2.11.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016151 nickel cation binding
GO:0020037 heme binding
GO:0046914 transition metal ion binding
GO:0051540 metal cluster binding
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015675 nickel cation transport
GO:0015833 peptide transport
GO:0050919 negative chemotaxis
GO:0055085 transmembrane transport
GO:0098716 nickel cation import across plasma membrane
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2noo, PDBe:2noo, PDBj:2noo
PDBsum2noo
PubMed17242515
UniProtP33590|NIKA_ECOLI Nickel-binding periplasmic protein (Gene Name=nikA)

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