Structure of PDB 4oeu Chain B Binding Site BS02

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 IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain4oeu Chain B Residue 502 [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 M338 R344 I382 G383 W384 H480 H481
Binding residue
(residue number reindexed from 1)		H25 M337 R343 I381 G382 W383 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
View graph for
Cellular Component
External links
PDB RCSB:4oeu, PDBe:4oeu, PDBj:4oeu
PDBsum4oeu
PubMed25199691
UniProtQ0P844

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