Structure of PDB 1fif Chain B Binding Site BS01

Receptor Information
>1fif Chain B (length=154) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIEVKLANMEAEINTLKSKLELTNKLHAFSMGKKSGKKFFVTNHERMPFS
KVKALCSELRGTVAIPRNAEENKAIQEVAKTSAFLGITDEVTEGQFMYVT
GGRLTYSNWKKDQPDDWYGHGLGGGEDCVHIVDNGLWNDDSCQRPYTAVC
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 chain1fif Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fif Mechanism of pH-dependent N-acetylgalactosamine binding by a functional mimic of the hepatocyte asialoglycoprotein receptor.
Resolution1.95 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:1fif, PDBe:1fif, PDBj:1fif
PDBsum1fif
PubMed10931846
UniProtP19999|MBL1_RAT Mannose-binding protein A (Gene Name=Mbl1)

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