Structure of PDB 5f3a Chain A Binding Site BS01

Receptor Information
>5f3a Chain A (length=130) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQP
MDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRA
CALRDTAYAIIKEELDEDFEQLCEEIQESR
Ligand information
Ligand ID5U9
InChIInChI=1S/C9H11N3O2S/c1-5(13)7-4-15-9(11-7)12-8(14)6-2-10-3-6/h4,6,10H,2-3H2,1H3,(H,11,12,14)/p+1
InChIKeyHHOKILYJEJQQMO-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)c1csc(NC(=O)C2C[NH2+]C2)n1
OpenEye OEToolkits 2.0.4CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2
FormulaC9 H12 N3 O2 S
Name~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain5f3a Chain A Residue 1202 [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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PDB5f3a Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
Resolution1.599 Å
Binding residue
(original residue number in PDB)		A1060 N1064 D1071 I1074
Binding residue
(residue number reindexed from 1)		A82 N86 D93 I96
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
External links
PDB RCSB:5f3a, PDBe:5f3a, PDBj:5f3a
PDBsum5f3a
PubMed
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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