Structure of PDB 7vuu Chain D Binding Site BS02

Receptor Information
>7vuu Chain D (length=65) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEELREQFRVEDKDGNGYISAAELRIVMTNRGEPLTDEEVDELHRETDID
GDGQVNYEEFVQRMR
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 D Residue 102 [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)		D18 D20 N22 Y24 E29
Binding residue
(residue number reindexed from 1)		D12 D14 N16 Y18 E23
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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