Structure of PDB 1bcj Chain 3 Binding Site BS02

Receptor Information
>1bcj Chain 3 (length=154) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIEVKLANMEAEINTLKSKLELTNKLHAFSMGKKSGKKFFVTNHERMPFS
KVKALCSELRGTVAIPRNAEENKAIQEVAKTVAFLGITDEVTEGQFMYVT
GGRLTYSNWKKDQPDDWYGHGLGGGEDCVHIVDNGLWNDISCQASHTAVC
EFPA
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 chain1bcj Chain 3 Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bcj Mechanism of N-acetylgalactosamine binding to a C-type animal lectin carbohydrate-recognition domain.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q185 D187 E198 N210 D211
Binding residue
(residue number reindexed from 1)		Q113 D115 E126 N138 D139
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1bcj, PDBe:1bcj, PDBj:1bcj
PDBsum1bcj
PubMed9677372
UniProtP19999|MBL1_RAT Mannose-binding protein A (Gene Name=Mbl1)

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