Structure of PDB 1bcj Chain 3 Binding Site BS01

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 227 [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)		D161 E165 D188 E198 D199
Binding residue
(residue number reindexed from 1)		D89 E93 D116 E126 D127
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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