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MolNFT v1 · #164949 · protein

Crystal structure of DOT1L in complex with an inhibitor (compound 11).

6TEN: “Crystal structure of DOT1L in complex with an inhibitor (compound 11).”. X-ray diffraction, 2 ligands (N5K, SO4). MolNFT v1 #164949 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6TEN
Type
protein
Length
640 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8TEK3
Ligands
N5K, SO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein318—Q8TEK3
B—protein322—Q8TEK3

Ligands and binding sites

  • N5K · 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Compared structures

  • 6TEN · Crystal structure of Dot1L in complex with an inhibitor (compound 11). · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8TEK3 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase, H3 lysine-79… · a predicted model of the same protein · chain A against A, TM-score 0.94

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