Structure of PDB 1qs7 Chain A Binding Site BS05

Receptor Information
>1qs7 Chain A (length=145) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTDEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMIN
EVDADGNGTIDFPEFLNLMARKMKDTDSEEELKEAFRVFDKDGNGFISAA
ELRHVMTNLGEKLTDEEVDEMIREADVDGDGQVNYEEFVQVMMAK
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 chain1qs7 Chain A Residue 154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qs7 Target Enzyme Recognition by Calmodulin: 2.4 A Structure of a Calmodulin- Peptide Complex
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D129 D131 D133 Q135 E140
Binding residue
(residue number reindexed from 1)		D126 D128 D130 Q132 E137
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V35
Catalytic site (residue number reindexed from 1) V32
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1qs7, PDBe:1qs7, PDBj:1qs7
PDBsum1qs7
PubMed
UniProtA0MMD0

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