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BioLiP

Structure of PDB 7vuu Chain B Binding Site BS01

Receptor Information
>7vuu Chain B (length=66) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEEELREQFRVEDKDGNGYISAAELRIVMTNRGEPLTDEEVDELHRETDI
DGDGQVNYEEFVQRMR
Ligand information
Ligand ID3NY
InChIInChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChIKeyAOCDQWRMYHJTMY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370[O-][N+](=O)c1ccc2[nH]nnc2c1
ACDLabs 12.01[O-][N+](=O)c1cc2nnnc2cc1
OpenEye OEToolkits 1.7.0c1cc2c(cc1[N+](=O)[O-])nn[nH]2
FormulaC6 H4 N4 O2
Name5-nitro-1H-benzotriazole
ChEMBLCHEMBL1414349
DrugBank
ZINCZINC000005425432
PDB chain7vuu Chain B Residue 101 [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)		E17 L30 M34 L49 T53 R69 M70
Binding residue
(residue number reindexed from 1)		E12 L25 M29 L44 T48 R64 M65
Annotation score1
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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