7KHH
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Elongin-B | polymer | 118 | 13163.8 | 1 | UniProt (Q15370) Pfam (PF00240) | Homo sapiens (Human) | EloB,Elongin 18 kDa subunit,RNA polymerase II transcription factor SIII subunit B,SIII p18,Transcription elongation factor B polypeptide 2 |
| 2 | B (B) | Elongin-C | polymer | 96 | 10843.4 | 1 | UniProt (Q15369) Pfam (PF03931) | Homo sapiens (Human) | EloC, Elongin 15 kDa subunit, RNA polymerase II transcription factor SIII subunit C, SIII p15, Transcription elongation factor B polypeptide 1 |
| 3 | C (C) | von Hippel-Lindau disease tumor suppressor | polymer | 175 | 20383.1 | 1 | UniProt (P40337) Pfam (PF01847) Pfam (PF17211) | Homo sapiens (Human) | Protein G7,pVHL |
| 4 | D (D) | Bromodomain-containing protein 4 | polymer | 149 | 17625.0 | 1 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (Human) | Protein HUNK1 |
| 5 | E (C) | N-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | non-polymer | 1096.3 | 1 | Chemie (WEP) | |||
| 6 | F, G, H, I (A, B, C, D) | water | water | 18.0 | 336 | Chemie (HOH) |
Sequence modifications
C: 55 - 213 (UniProt: P40337)
D: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Met 39 | - | initiating methionine |
| His 40 | - | expression tag |
| His 41 | - | expression tag |
| His 42 | - | expression tag |
| His 43 | - | expression tag |
| His 44 | - | expression tag |
| His 45 | - | expression tag |
| Gly 46 | - | expression tag |
| Glu 47 | - | expression tag |
| Asn 48 | - | expression tag |
| Leu 49 | - | expression tag |
| Tyr 50 | - | expression tag |
| Phe 51 | - | expression tag |
| Gln 52 | - | expression tag |
| Gly 53 | - | expression tag |
| Ser 54 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 20 | - | initiating methionine |
| His 21 | - | expression tag |
| His 22 | - | expression tag |
| His 23 | - | expression tag |
| His 24 | - | expression tag |
| His 25 | - | expression tag |
| His 26 | - | expression tag |
| Ser 27 | - | expression tag |
| Ser 28 | - | expression tag |
| Gly 29 | - | expression tag |
| Val 30 | - | expression tag |
| Asp 31 | - | expression tag |
| Leu 32 | - | expression tag |
| Gly 33 | - | expression tag |
| Thr 34 | - | expression tag |
| Glu 35 | - | expression tag |
| Asn 36 | - | expression tag |
| Leu 37 | - | expression tag |
| Tyr 38 | - | expression tag |
| Phe 39 | - | expression tag |
| Gln 40 | - | expression tag |
| Ser 41 | - | expression tag |
| Asn 42 | - | expression tag |
| Ala 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 62015.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 1096.3 | |
| All* | Total formula weight | 63111.6 |
