Structure of PDB 4oeu Chain B Binding Site BS01

Receptor Information
>4oeu Chain B (length=493) Species: 192222 (Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPKDTLIIAVENEIARINPAYSEDHDAVINLVFSGLTRFDENMSLKPDLA
KSWDISKDGLVYDIFLRDDVLWHDGVKFSADDVKFSIEAFKNPKNNSSIY
VNFEDIKSVEILNPSHVKITLFKPYPAFLDALSIGMLPKHLLENENLNTS
SFNQNPIGTGPYKFVKWKKGEYVEFKANEHFYLDKVKTPRLIIKHIFDPS
IASAELKNGKIDAALIDVSLLNIFKNDENFGILREKSADYRALMFNLDNE
FLKDLKVRQALNYAVDKESIVKNLLHDYAFVANHPLERSWANSKNFKIYK
YDPKKAEDLLVSAGFKKNKDGNFEKDGKILEFEIWAMSNDPLRVSLAGIL
QSEFRKIGVVSKVVAKPAGSFDYSKVDSFLIGWGSPLDPDFHTFRVFESS
QDSALNDEGWNFGHYHDKKVDIALQKARNTSNLEERKKYYKDFIDALYEN
PPFIFLAYLDFALVYNKDLKGIKTRTLGHHGVGFTWNVYEWSK
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 chain4oeu 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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PDB4oeu Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H26 H480 H481
Binding residue
(residue number reindexed from 1)		H25 H479 H480
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4oeu, PDBe:4oeu, PDBj:4oeu
PDBsum4oeu
PubMed25199691
UniProtQ0P844

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