Brand  (β version)

PDB ID: 6HAY

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Ligands
Code Name Style Show Link
FX8 (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide PoSSuM
EDO 1,2-ethanediol PoSSuM
FMT Formic acid PoSSuM
Non-standard Residues
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Structure summary

Code : 6HAY   PDBj   RCSB PDB   PDBe
Header : GENE REGULATION
Title : Crystal structure of PROTAC 1 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
Release Data : 2019-06-12
Compound :
mol_id molecule chains synonym
1 Probable global transcription activator SNF2L2 A,E ATP-dependent helicase SMARCA2,BRG1-associated factor 190B,BAF190B,Protein brahma homolog,hBRM,SNF2-alpha,SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 2
ec: 3.6.4.-
mol_id molecule chains synonym
2 von Hippel-Lindau disease tumor suppressor B,F Protein G7,pVHL
mol_id molecule chains synonym
3 Elongin-C C,G EloC,Elongin 15 kDa subunit,RNA polymerase II transcription factor SIII subunit C,SIII p15,Transcription elongation factor B polypeptide 1
mol_id molecule chains synonym
4 Elongin-B D,H EloB,Elongin 18 kDa subunit,RNA polymerase II transcription factor SIII subunit B,SIII p18,Transcription elongation factor B polypeptide 2
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: SMARCA2, BAF190B, BRM, SNF2A, SNF2L2
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pDEST15
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: VHL
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pHAT4
mol_id organism_scientific organism_common expression_system
3 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: ELOC, TCEB1
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCDF-1b DUET
mol_id organism_scientific organism_common expression_system
4 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: ELOB, TCEB2
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCDF-1b DUET
Authors : Roy, M., Bader, G., Diers, E., Trainor, N., Farnaby, W., Ciulli, A.
Keywords : bromodomain, E3 Ubiquitin Protein Ligase, GENE REGULATION
Exp. method : X-RAY DIFFRACTION ( 2.2400 Å )
Citation :

BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.

Farnaby, W.,Koegl, M.,Roy, M.J.  et al.
(2019)  Nat.Chem.Biol.  15 : 672 - 680

PubMed: 31178587
DOI: 10.1038/s41589-019-0294-6

Reaction

Chain : A, E
UniProt : P51531 (SMCA2_HUMAN)
Reaction : -
Chain : B, F
UniProt : P40337 (VHL_HUMAN)
Reaction : -
Chain : C, G
UniProt : Q15369 (ELOC_HUMAN)
Reaction : -
Chain : D, H
UniProt : Q15370 (ELOB_HUMAN)
Reaction : -