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BioLiP

Structure of PDB 1kwu Chain C Binding Site BS03

Receptor Information
>1kwu Chain C (length=149) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIEVKLANMEAEINTLKSKLELTNKLHAFSMGKKSGKKFFVTNHERMPFS
KVKALCSELRGTVAIPRNAEENKAIQEVAKTSAFLGITDEVTEGQFMYVT
GGRLTYSNWKKDEPNDHGSGEDCVTIVDNGLWNDISCQASHTAVCEFPA
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 chain1kwu Chain C Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1kwu Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E185 N187 E193 N205 D206
Binding residue
(residue number reindexed from 1)		E113 N115 E121 N133 D134
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1kwu, PDBe:1kwu, PDBj:1kwu
PDBsum1kwu
PubMed11850428
UniProtP19999|MBL1_RAT Mannose-binding protein A (Gene Name=Mbl1)

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