Structure of PDB 6m5m Chain B Binding Site BS02

Receptor Information
>6m5m Chain B (length=137) Species: 311201 (Saxidomus purpurata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CCSEDDCPSGWKFFGGSCYLFDEGSRGWEGSKAFCESKDASLVTVECSKE
DDFIRGILSGQTAKHYYWIGARWNEEHNDYRWIDGSPFTFIGWGPGKPDN
NKGCLDYLNYKEVVWQWNDHVDCENTNGPCICEIDCS
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 chain6m5m Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6m5m Novel carbohydrate-recognition mode of the invertebrate C-type lectin SPL-1 from Saxidomus purpuratus revealed by the GlcNAc-complex crystal in the presence of Ca2.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D99 N118 D119
Binding residue
(residue number reindexed from 1)		D99 N118 D119
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links