Structure of PDB 5xs8 Chain D Binding Site BS03

Receptor Information
>5xs8 Chain D (length=474) Species: 519441 (Streptobacillus moniliformis DSM 12112) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKETTIFAMHLGKALDPNLPVFVKAEKDTNIKLVNVASQNQTDQIQAYNL
MLTEGKLPDIVSYELSADLENLGIEGGLIPLEDLINQHAPNLKKFFEENP
RYKKDAVAVDGHIYMIPNYYDYFNIKVSQGYFIRQDWLEKLGLKEPRTVD
ELYTTLKAFREKDPNGNGKKDEVPFFVRANNVRKVLTSLVDLFKASPIWY
EENGMVKYGPAQKEFKHAIKELSKWYKEGLIDEEIFTRGLESRDYLLSNN
LGGATDDWIASTSSYNRNLADKIPGFNLKLVLPYELNGNAKTRHARTTYL
GGWGISKDAKDPVSLIKYFDYWYSVEGRRLWNFGIEGSEYTLVDGKPVFT
DKVLKNPDGKTPLAVLREVGAQYRLGAFQDAQYELGWASESAKAGYKYYM
DNDVVLDELPILKYTKEKSKEFVSIDTAMRAVVEEKAQQWILGSGDIDKE
WDAYIKRLENLGLSKAEQIQNEAF
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 chain5xs8 Chain D 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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PDB5xs8 Alternative substrate-bound conformation of bacterial solute-binding protein involved in the import of mammalian host glycosaminoglycans.
Resolution1.952 Å
Binding residue
(original residue number in PDB)		D189 N191 N193 K195 D197 E198
Binding residue
(residue number reindexed from 1)		D163 N165 N167 K169 D171 E172
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:5xs8, PDBe:5xs8, PDBj:5xs8
PDBsum5xs8
PubMed29208901
UniProtD1AWE0

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