Structure of PDB 4i8c Chain C Binding Site BS02

Receptor Information
>4i8c Chain C (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]
DEITTAWPVNVGPLNPHLYTPNQMFAQSMVYEPLVKYQADGSVIPWLAKS
WTHSEDGKTWTFTLRDDVKFSNGEPFDAEAAAENFRAVLDNRQRHAWLEL
ANQIVDVKALSKTELQITLKSAYYPFLQELALPRPFRFIAPSQFKNHETM
NGIKAPIGTGPWILQESKLNQYDVFVRNENYWGEKPAIKKITFNVIPDPT
TRAVAFETGDIDLLYGNEGLLPLDTFARFSQNPAYHTQLSQPIETVMLAL
NTAKAPTNELAVREALNYAVNKKSLIDNALYGTQQVADTLFAPSVPYANL
GLKPSQYDPQKAKALLEKAGWTLPAGKDIREKNGQPLRIELSFIGTDALS
KSMAEIIQADMRQIGADVSLIGEEESSIYARQRDGRFGMIFHRTWGAPYD
PHAFLSSMRVPSHADFQAQQGLADKPLIDKEIGEVLATHDETQRQALYRD
ILTRLHDEAVYLPISYISMMVVSKPELGNIPYAPIATEIPFEQIKP
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 chain4i8c Chain C Residue 602 [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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PDB4i8c The binding mode of Ni-((L)-His)(2) in NikA revealed by X-ray crystallography.
Resolution2.503 Å
Binding residue
(original residue number in PDB)		Y22 T23 R97 Y382 H416
Binding residue
(residue number reindexed from 1)		Y19 T20 R94 Y379 H413
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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:4i8c, PDBe:4i8c, PDBj:4i8c
PDBsum4i8c
PubMed23314594
UniProtP33590|NIKA_ECOLI Nickel-binding periplasmic protein (Gene Name=nikA)

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