Structure of PDB 1gsl Chain A Binding Site BS06

Receptor Information
>1gsl Chain A (length=243) Species: 3850 (Griffonia simplicifolia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNTVNFTYPDFWSYSLKNGTEITFLGDATRIPGALQLTKTDANGNPVRSS
AGQASYSEPVFLWDSTGKAASFYTSFTFLLKNYGAPTADGLAFFLAPVDS
SVKDYGGFLGLFRHETAADPSKNQVVAVEFDTWINKDWNDPPYPHIGIDV
NSIVSVATTRWENDDAYGSSIATAHITYDARSKILTVLLSYEHGRDYILS
HVVDLAKVLPQKVRIGFSAGVGYDEVTYILSWHFFSTLDGTNK
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 chain1gsl Chain A Residue 251 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gsl Structures of the lectin IV of Griffonia simplicifolia and its complex with the Lewis b human blood group determinant at 2.0 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D131 W133 N135 D140
Binding residue
(residue number reindexed from 1)		D131 W133 N135 D140
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:1gsl, PDBe:1gsl, PDBj:1gsl
PDBsum1gsl
PubMed8478943
UniProtP24146|LEC4_GRISI Lectin-4

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