Structure of PDB 5gub Chain B Binding Site BS02

Receptor Information
>5gub Chain B (length=471) Species: 519441 (Streptobacillus moniliformis DSM 12112) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KETTIFAMHLGKALDPNLPVFVKAEKDTNIKLVNVASQNQTDQIQAYNLM
LTEGKLPDIVSYELSADLENLGIEGGLIPLEDLINQHAPNLKKFFEENPR
YKKDAVAVDGHIYMIPNYYDYFNIKVSQGYFIRQDWLEKLGLKEPRTVDE
LYTTLKAFREKDPNGNGKKDEVPFFVRANNVRKVLTSLVDLFKASPIWYE
ENGMVKYGPAQKEFKHAIKELSKWYKEGLIDEEIFTRGLESRDYLLSNNL
GGATDDWIASTSSYNRNLADKIPGFNLKLVLPYELNGNAKTRHARTTYLG
GWGISKDAKDPVSLIKYFDYWYSVEGRRLWNFGIEGSEYTLVDGKPVFTD
KVLKNPDGKTPLAVLREVGAQYRLGAFQDAQYELGWASESAKAGYKYYMD
NDVVLDELPILKYTKEKSKEFVSIDTAMRAVVEEKAQQWILGSGDIDKEW
DAYIKRLENLGLSKAEQIQNE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5gub Chain B Residue 601 [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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PDB5gub A bacterial ABC transporter enables import of mammalian host glycosaminoglycans
Resolution1.78 Å
Binding residue
(original residue number in PDB)		D189 N191 N193 K195 D197 E198
Binding residue
(residue number reindexed from 1)		D162 N164 N166 K168 D170 E171
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5gub, PDBe:5gub, PDBj:5gub
PDBsum5gub
PubMed28432302
UniProtD1AWE0

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