Structure of PDB 5r4n Chain A Binding Site BS01

Receptor Information
>5r4n Chain A (length=119) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDAMTVLTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDYYGVI
KEPMDLATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQCAE
VLESFFVQKLKGFKASRSH
Ligand information
Ligand IDK3D
InChIInChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)
InChIKeyDXJHUMXFQJQTMZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N1(CCN(CC1)C(=O)C)C(NCC)=O
CACTVS 3.385CCNC(=O)N1CCN(CC1)C(C)=O
OpenEye OEToolkits 2.0.6CCNC(=O)N1CCN(CC1)C(=O)C
FormulaC9 H17 N3 O2
Name4-acetyl-N-ethylpiperazine-1-carboxamide
ChEMBL
DrugBank
ZINCZINC000000334965
PDB chain5r4n Chain A Residue 3003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5r4n PanDDA analysis group deposition
Resolution1.28 Å
Binding residue
(original residue number in PDB)		D2834 Y2880 N2881 F2887
Binding residue
(residue number reindexed from 1)		D42 Y88 N89 F95
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006357 regulation of transcription by RNA polymerase II
Cellular Component
GO:0016589 NURF complex

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Biological Process
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Cellular Component
External links
PDB RCSB:5r4n, PDBe:5r4n, PDBj:5r4n
PDBsum5r4n
PubMed
UniProtQ12830|BPTF_HUMAN Nucleosome-remodeling factor subunit BPTF (Gene Name=BPTF)

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