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MolNFT v2 · #152356 · protein

Crystal structure of human BRD9 bromodomain in complex with a PROTAC

6HM0: “Crystal structure of human BRD9 bromodomain in complex with a PROTAC”. X-ray diffraction at 2.4, 1 ligand (GBW). MolNFT v2 #152356 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6HM0
Type
protein
Length
224 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.4
Source
Homo sapiens
UniProt
Q9H8M2
Ligands
GBW

Structure

x-ray diffraction · resolution 2.4 · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein112—Q9H8M2

Ligands and binding sites

  • GBW · (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl) phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl) phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide · ligand · 2 copies · chains A, B

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

Compared structures

  • 6HM0 · Crystal structure of human BRD9 bromodomain in complex with a protac · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H8M2 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 9 (Q9H8M2) · a predicted model of the same protein · chain A against A, TM-score 0.93

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