Structure of PDB 7szb Chain A Binding Site BS01

Receptor Information
>7szb Chain A (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPAPEAEALAAARERSSRFLSGLELVKQGAEARVFRGRFQGRAAVIKHRF
PKGYRHPALEARLGRRRTVQEARALLRCRRAGISAPVVFFVDYASNCLYM
EEIEGSVTVRDYIQSTMETEKTPQGLSNLAKTIGQVLARMHDEDLIHGDL
TTSNMLLKPPLEQLNIVLIDFGLSFISALPEDKGVDLYVLEKAFLSTHPN
TETVFEAFLKSYSTSSKKARPVLKKLDEVRLR
Ligand information
Ligand IDDQ4
InChIInChI=1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)/t9-/m1/s1
InChIKeyIICWMVJMJVXCLY-SECBINFHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1
CACTVS 3.385Nc1ccc2C(=O)N([C@@H]3CCC(=O)NC3=O)C(=O)c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)C(=O)N(C2=O)C3CCC(=O)NC3=O
ACDLabs 12.01O=C1NC(=O)CCC1N1C(=O)c2ccc(N)cc2C1=O
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O
FormulaC13 H11 N3 O4
Name5-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
ChEMBL
DrugBank
ZINCZINC000029389579
PDB chain7szb Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7szb Crystal Structure Analysis of human PRPK complex with a compound
Resolution2.02 Å
Binding residue
(original residue number in PDB)		V58 M113 E115 I116 S119 I182
Binding residue
(residue number reindexed from 1)		V45 M100 E102 I103 S106 I169
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
3.6.-.-
Gene Ontology
Molecular Function
GO:0002039 p53 binding
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0044024 histone H2AS1 kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0008033 tRNA processing
GO:0016310 phosphorylation
GO:0070525 tRNA threonylcarbamoyladenosine metabolic process
GO:1901796 regulation of signal transduction by p53 class mediator
Cellular Component
GO:0000408 EKC/KEOPS complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7szb, PDBe:7szb, PDBj:7szb
PDBsum7szb
PubMed
UniProtQ96S44|PRPK_HUMAN EKC/KEOPS complex subunit TP53RK (Gene Name=TP53RK)

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