Structure of PDB 6ue5 Chain A Binding Site BS01

Receptor Information
>6ue5 Chain A (length=424) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RREHVLKQLERVKISGQLSPRLFRKLPPRVCVSLKNIVDEDFLYAGHIFL
GFSKCGRYVLSYTSSSGDDFSFYIYHLYWWEFNVHSKLKLVRQVRLFQDE
EIYSDLYLTVCEWPSDASKVIVFGFNTRSANGMLMNMMMMSDENHRDIYV
STVAVPPPGRCAACQDAQCLRHGFMLHTKYQVVYPFPTFQPAFQLKKDQV
VLLNTSYSLVACAVSVHSAGDRSFCQILYYVNYTKLYYVLEFVVTDLRGR
NLRPMRERTAVQGQYLTVEQLTLDFEYVINEVIRHDATWGHQFCSFSDYD
IVILEVCPETNQVLINIGLLLLAFPSPTEEGQLRPKTYHTSLKVAWDLNT
GIFETVSVGDLTEVKGQTSGSVWSSYRKSCVDMVMKWLVPESSGRYVNRM
TNEALHKGSLKVLADSERYTWIVL
Ligand information
Ligand IDQ5J
InChIInChI=1S/C17H16N4O2S/c1-11-2-7-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-5-3-12(8-18)4-6-14/h2-7,10,20-21H,8,18H2,1H3
InChIKeyYYJILEGPDDMZAV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1c(c3c(c(c1)NS(=O)(=O)c2ccc(cc2)CN)ncc3C#N)C
CACTVS 3.385Cc1ccc(N[S](=O)(=O)c2ccc(CN)cc2)c3[nH]cc(C#N)c13
OpenEye OEToolkits 2.0.7Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN
FormulaC17 H16 N4 O2 S
Name4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide
ChEMBL
DrugBank
ZINC
PDB chain6ue5 Chain A Residue 701 [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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PDB6ue5 Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Resolution2.61 Å
Binding residue
(original residue number in PDB)		Q232 P233 A234 F235 C555 L563
Binding residue
(residue number reindexed from 1)		Q190 P191 A192 F193 C380 L388
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0036094 small molecule binding
GO:0046872 metal ion binding
Biological Process
GO:0000209 protein polyubiquitination
GO:0002376 immune system process
GO:0016567 protein ubiquitination
GO:0032814 regulation of natural killer cell activation
Cellular Component
GO:0080008 Cul4-RING E3 ubiquitin ligase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ue5, PDBe:6ue5, PDBj:6ue5
PDBsum6ue5
PubMed31819272
UniProtQ66K64|DCA15_HUMAN DDB1- and CUL4-associated factor 15 (Gene Name=DCAF15)

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