Structure of PDB 1kwu Chain B Binding Site BS02

Receptor Information
>1kwu Chain B (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 B Residue 602 [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)		D161 E165 D188 E193 D194
Binding residue
(residue number reindexed from 1)		D89 E93 D116 E121 D122
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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