Structure of PDB 5r4z Chain A Binding Site BS01

Receptor Information
>5r4z 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]
SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYRTVIKEP
MDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRA
CALRDTAYAIIKEELDEDFEQLCEEIQESR
Ligand information
Ligand IDGWA
InChIInChI=1S/C11H14N2O3/c1-8(14)12-9-4-3-5-10(6-9)13-11(15)7-16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZDALGCTWWSVNDR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COCC(=O)Nc1cccc(NC(C)=O)c1
OpenEye OEToolkits 2.0.6CC(=O)Nc1cccc(c1)NC(=O)COC
FormulaC11 H14 N2 O3
Name~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide
ChEMBL
DrugBank
ZINCZINC000000860450
PDB chain5r4z Chain A Residue 1201 [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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PDB5r4z XChem fragment screen
Resolution1.46 Å
Binding residue
(original residue number in PDB)		V1018 N1064 I1074
Binding residue
(residue number reindexed from 1)		V40 N86 I96
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
External links
PDB RCSB:5r4z, PDBe:5r4z, PDBj:5r4z
PDBsum5r4z
PubMed
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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