Structure of PDB 4kmb Chain 1 Binding Site BS04

Receptor Information
>4kmb Chain 1 (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
GGRLTYSNWKKDEPNDHGSGEDCVTIVDNGLWNDISCQKKKTAVCEFPA
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 chain4kmb Chain 1 Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kmb Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.
Resolution2.0 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:4kmb, PDBe:4kmb, PDBj:4kmb
PDBsum4kmb
PubMed9033386
UniProtP19999|MBL1_RAT Mannose-binding protein A (Gene Name=Mbl1)

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