Structure of PDB 1wmz Chain A Binding Site BS02

Receptor Information
>1wmz 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 chain1wmz Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wmz Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Q101 D103 E109 N123 D124
Binding residue
(residue number reindexed from 1)		Q101 D103 E109 N123 D124
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:1wmz, PDBe:1wmz, PDBj:1wmz
PDBsum1wmz
PubMed15319425
UniProtQ7M462

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