Structure of PDB 1wmy Chain A Binding Site BS01

Receptor Information
>1wmy Chain A (length=140) Species: 40245 (Cucumaria echinata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQCPTDWEAEGDHCYRFFNTLTTWENAHHECVSYSCSTLNVRSDLVSVHS
AAEQAYVFNYWRGIDSQAGQLWIGLYDKYNEGDFIWTDGSKVGYTKWAGG
QPDNWNNAEDYGQFRHTEGGAWNDNSAAAQAKYMCKLTFE
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 chain1wmy Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wmy Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D77 E81 N104 E109 D110
Binding residue
(residue number reindexed from 1)		D77 E81 N104 E109 D110
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0038023 signaling receptor activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1wmy, PDBe:1wmy, PDBj:1wmy
PDBsum1wmy
PubMed15319425
UniProtQ7M462

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