Structure of PDB 5kxd Chain B Binding Site BS01

Receptor Information
>5kxd Chain B (length=238) Species: 3922 (Wisteria floribunda) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KETTSFVFTRFSPDPQNLLLQGDTVVTSSGHLQLTQVKDGEPVYSSLGRA
LYYAPIHIWDSNTDTVANFVTSFSFVIDAPNKAKAADGLAFFLAPVDTEP
QKPGGLLGLFHDDRHNKSNHIVAVEFDTFKNSWDPEGTHIGINVNSIVSR
KTISWDLENNEVANVVISYQASTKTLTASLVYPSSSTSYILNDVVDLKQI
LPEYVRVGFTAASGLSKDHVETHDVLAWTFDSDLPDPS
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 chain5kxd Chain B Residue 302 [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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PDB5kxd Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[ beta 14]GlcNAc), by Wisteria floribunda Agglutinin.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D157 F159 N161 D164
Binding residue
(residue number reindexed from 1)		D127 F129 N131 D134
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5kxd, PDBe:5kxd, PDBj:5kxd
PDBsum5kxd
PubMed27601469
UniProtA0A1D5B396

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