Structure of PDB 6q0r Chain B Binding Site BS01

Receptor Information
>6q0r Chain B (length=208) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EHVLKQLERVKISGQLSPRLFRKLPPRVCVSLKNIVDEDFLYAGHIFLGF
SKCGRYVLSYTSSSSFYIYHLYWWEFNVHSKLKLVRQVRLFQDEEIYSDL
YLTVCEWPSDASKVIVFGFNTRSANMMSDENHRDIYVSTVAVPPPGRCAA
CQDASRAAQCLRHGFMLHTKYQVVYPFPTFQPAFQLKKDQVVLLNTSYSL
VACAVSVH
Ligand information
Ligand IDO6M
InChIInChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3
InChIKeyLWGUASZLXHYWIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1(cccc(c1)S(Nc2ccc(C)c3c(cnc23)C#N)(=O)=O)C#N
OpenEye OEToolkits 2.0.7Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N
CACTVS 3.385Cc1ccc(N[S](=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13
FormulaC17 H12 N4 O2 S
Name3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide
ChEMBLCHEMBL4297376
DrugBankDB12505
ZINCZINC000000008704
PDB chain6q0r Chain B Residue 302 [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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PDB6q0r Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		T230 F231 Q232 P233 A234 F235
Binding residue
(residue number reindexed from 1)		T179 F180 Q181 P182 A183 F184
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0016567 protein ubiquitination

View graph for
Biological Process
External links
PDB RCSB:6q0r, PDBe:6q0r, PDBj:6q0r
PDBsum6q0r
PubMed31686031
UniProtQ66K64|DCA15_HUMAN DDB1- and CUL4-associated factor 15 (Gene Name=DCAF15)

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