Structure of PDB 5r4g Chain A Binding Site BS01

Receptor Information
>5r4g 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 IDRU4
InChIInChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15)
InChIKeyVSHNRASUUBQGMG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCNC(=O)Oc1ccc(cc1)c2csnn2
ACDLabs 12.01N(C(Oc1ccc(cc1)c2nnsc2)=O)CC
FormulaC11 H11 N3 O2 S
Name4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
ChEMBLCHEMBL1308561
DrugBank
ZINCZINC000001387541
PDB chain5r4g Chain A Residue 3002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5r4g PanDDA analysis group deposition
Resolution1.25 Å
Binding residue
(original residue number in PDB)		P2825 F2826 D2834 N2881 F2887
Binding residue
(residue number reindexed from 1)		P33 F34 D42 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:5r4g, PDBe:5r4g, PDBj:5r4g
PDBsum5r4g
PubMed
UniProtQ12830|BPTF_HUMAN Nucleosome-remodeling factor subunit BPTF (Gene Name=BPTF)

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