Structure of PDB 1kww Chain B Binding Site BS04

Receptor Information
>1kww 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 chain1kww Chain B Residue 604 [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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PDB1kww Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E165 D194
Binding residue
(residue number reindexed from 1)		E93 D122
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1kww, PDBe:1kww, PDBj:1kww
PDBsum1kww
PubMed11850428
UniProtP19999|MBL1_RAT Mannose-binding protein A (Gene Name=Mbl1)

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