GL1X · GenesisL1 explorer

MolNFT v1 · #179835 · protein

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)

7KHH: “Ternary complex of VHL/BRD4-BD1/COMPOUND9 (4-(3,5-difluoropyridin-2…”. X-ray diffraction, 1 ligand (WEP). MolNFT v1 #179835 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7KHH
Type
protein
Length
471 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q15370, Q15369, P40337, O60885
Ligands
WEP

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein105—Q15370
B—protein90—Q15369
C—protein148—P40337
D—protein128—O60885

Ligands and binding sites

  • WEP · 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 · ligand · chains C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 7KHH · Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15370 · AlphaFold monomer V2.0 prediction for elongin-B (Q15370) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain D against A, TM-score 0.98
  • Q15369 · AlphaFold monomer V2.0 prediction for elongin-C (Q15369) · a predicted model of the same protein · chain B against A, TM-score 0.96

Analyse

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