Structure of PDB 6q0w Chain B Binding Site BS01
Receptor Information
>6q0w Chain B (length=208) Species:
9606
(Homo sapiens) [
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REHVLKQLERVKISGQLSPRLFRKLPPRVCVSLKNIVDEDFLYAGHIFLG
FSKCGRYVLSYTSSSSFYIYHLYWWEFNVHSKLKLVRQVRLFQDEEIYSD
LYLTVCEWPSDASKVIVFGFNTRSANMMSDENHRDIYVSTVAVPPPGRCA
ACQDASNAQCLRHGFMLHTKYQVVYPFPTFQPAFQLKKDQVVLLNTSYSL
VACAVSVH
Ligand information
Ligand ID
EF6
InChI
InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChIKey
SETFNECMODOHTO-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl
CACTVS 3.385
N[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc3c(Cl)c[nH]c23
ACDLabs 12.01
N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl
Formula
C14 H12 Cl N3 O4 S2
Name
N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide;
Indisulam
ChEMBL
CHEMBL77517
DrugBank
DB06370
ZINC
ZINC000000600748
PDB chain
6q0w Chain B Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
6q0w
Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Resolution
2.9 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 score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Biological Process
GO:0016567
protein ubiquitination
View graph for
Biological Process
External links
PDB
RCSB:6q0w
,
PDBe:6q0w
,
PDBj:6q0w
PDBsum
6q0w
PubMed
31686031
UniProt
Q66K64
|DCA15_HUMAN DDB1- and CUL4-associated factor 15 (Gene Name=DCAF15)
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