Structure of PDB 7vuu Chain A Binding Site BS04

Receptor Information
>7vuu Chain A (length=63) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LREQFRVEDKDGNGYISAAELRIVMTNRGEPLTDEEVDELHRETDIDGDG
QVNYEEFVQRMRA
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 chain7vuu Chain A Residue 105 [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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PDB7vuu NMR-guided directed evolution.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R51 D54
Binding residue
(residue number reindexed from 1)		R42 D45
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:7vuu, PDBe:7vuu, PDBj:7vuu
PDBsum7vuu
PubMed36198791
UniProtP0DP23|CALM1_HUMAN Calmodulin-1 (Gene Name=CALM1)

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