Structure of PDB 6cq1 Chain A

Receptor sequence
>6cq1A (length=123) Species: 9606 (Homo sapiens) [Search protein sequence]
DSQIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSG
LFYSIFTDQLKRNLSVINLDPEINPEGFNILLDFMYTSRLNLRVGNIMAV
MATAMYLQMEHVVDTCRKFIKAS
3D structure
PDB6cq1 Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
ChainA
Resolution1.69921 Å
3D
structure
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Enzymatic activity
Enzyme Commision number ?
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 F8J A M51 A52 C53 G55 Y58 E115 M46 A47 C48 G50 Y53 E110 MOAD: Kd=219uM
PDBbind-CN: -logKd/Ki=3.66,Kd=219uM
BindingDB: IC50=142000nM,Kd=219000nM
BS02 F8J A D17 N21 D12 N16 MOAD: Kd=219uM
PDBbind-CN: -logKd/Ki=3.66,Kd=219uM
BindingDB: IC50=142000nM,Kd=219000nM
External links
PDB RCSB:6cq1, PDBe:6cq1, PDBj:6cq1
PDBsum6cq1
PubMed29969259
UniProtP41182|BCL6_HUMAN B-cell lymphoma 6 protein (Gene Name=BCL6)

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