Structure of PDB 1bcj Chain 3 Binding Site BS03

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 3 [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)		E165 D199
Binding residue
(residue number reindexed from 1)		E93 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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