Structure of PDB 1hql Chain B Binding Site BS03

Receptor Information
>1hql Chain B (length=236) Species: 3850 (Griffonia simplicifolia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVSFTFPNFWSDVEDSIIFQGDANTTAGTLQLCKTNQYGTPLQWSAGRAL
YSDPVQLWDNKTESVASFYTEFTFFLKITGNGPADGLAFFLAPPDSDVKD
AGEYLGLFNKSTATQPSKNQVVAVEFDTWTNPNFPEPSYRHIGINVNSIV
SVATKRWEDSDIFSGKIATARISYDGSAEILTVVLSYPDGSDYILSHSVD
MRQNLPESVRVGISASTGNNQFLTVYILSWRFSSNL
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 chain1hql Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hql The xenograft antigen bound to Griffonia simplicifolia lectin 1-B(4). X-ray crystal structure of the complex and molecular dynamics characterization of the binding site.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D130 W132 N134 E139
Binding residue
(residue number reindexed from 1)		D127 W129 N131 E136
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:1hql, PDBe:1hql, PDBj:1hql
PDBsum1hql
PubMed11714721
UniProtQ8W1R6

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