Structure of PDB 4ofo Chain C Binding Site BS01

Receptor Information
>4ofo Chain C (length=497) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THTLQLAIGDEPTEGFDPMLGWSHGSYLLLHSPLLKQNEDFSWDSLLLSQ
YQPSDDGKTWLLTLKPDLKFSDGSPLTAKDVAFTYNNAAASGGKVDMGNF
LSAEVIDPLNVRIHLKAPQSTFVNVLGSLGIVSADKYNAKTYAQKPIGAG
PYRLVSFQPGQQMIVEANPYYAGNKNDFDKLIFVFLDEDSAFAAAQSGQL
GVVRIPPSMAVGSVNNMKLWVRPSVENRGIVFPTTPAGKKDAHGYPIGND
VTADVAIRRAINYAINRQLLADQIMEGHAIPAYTGVQGLPWNNPDSAIKD
GDIDKAKQILEQAGWQLNSQGTREKNGLPAKITLWYTSGDTTRRDLAQAL
RSMLKPIGIDVDLKSGSWETVERNMHANPTLFGWGSLDPMELYHHYSSNA
AGVEYYNPGYYKNPMVDKHLQQALDAPTWQQAVPFWQQVDWDGTTGAGIR
GDAAWAWLLNIQHTYLANNCVDLGKGTPEIHGSWSLLNSIDSWKWTC
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 chain4ofo Chain C Residue 501 [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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PDB4ofo Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		E105 H115
Binding residue
(residue number reindexed from 1)		E104 H114
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ofo, PDBe:4ofo, PDBj:4ofo
PDBsum4ofo
PubMed25199691
UniProtA0A5P8YI66

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