UniProt Q96KQ7
Histone-lysine N-methyltransferase EHMT2 (Q96KQ7)
Histone-lysine N-methyltransferase EHMT2 (UniProt Q96KQ7), EC 2.1.1.-, 2.1.1.367: 48 experimental structures and 1 predicted model on GenesisL1, 22 ligands bound, 220 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q96KQ7
- Protein
- Histone-lysine N-methyltransferase EHMT2
- EC
- 2.1.1.-, 2.1.1.367, 2.1.1.43
- Experimental structures
- 48
- Predicted models
- 1
- Ligands
- 22
- Pockets
- 220 · 21 records with a druggable one
Structures
49 records of Q96KQ7 in the MolNFT archive: 48 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2O8J | Human euchromatic histone methyltransferase 2 | x-ray diffraction | A, B, C, D | — | — |
| 2O8J | Human euchromatic histone methyltransferase 2 | x-ray diffraction | A, B, C, D | — | — |
| 3DM1 | Crystal structure of the complex of human chromobox homolog 3 (CBX3) with peptide | x-ray diffraction | B, D, F, H | — | — |
| 3DM1 | Crystal structure of the complex of human chromobox homolog 3 (CBX3) with peptide | x-ray diffraction | B, D, F, H | — | — |
| 3K5K | Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine… | x-ray diffraction | A, B | — | — |
| 3K5K | Discovery of a 2,4-diamino-7-aminoalkoxy-quinazoline as a potent inhibitor of histone lysine… | x-ray diffraction | A, B | — | — |
| 3RJW | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | x-ray diffraction | A, B | — | — |
| 3RJW | Crystal structure of histone lysine methyltransferase G9A with an inhibitor | x-ray diffraction | A, B | — | — |
| 4NVQ | Human G9a in Complex with Inhibitor A-366 | x-ray diffraction | A, B | — | — |
| 4NVQ | Human G9A in complex with inhibitor a-366 | x-ray diffraction | A, B | — | — |
| 5JHN | Structure of G9a SET-domain with Histone H3K9Ala mutant peptide and bound S-adenosylmethionine | x-ray diffraction | A, B | ZN, SAM | 10 (best 0.80) |
| 5JHN | Structure of G9A set-domain with histone H3K9ALA mutant peptide and bound S-adenosylmethionine | x-ray diffraction | A, B | — | — |
| 5JIN | Structure of G9a SET-domain with Histone H3K9M mutant peptide and bound S-adenosylmethionine | x-ray diffraction | A, B | ZN, SAM | 10 (best 0.80) |
| 5JIN | Structure of G9A set-domain with histone H3K9M mutant peptide and bound S-adenosylmethionine | x-ray diffraction | A, B | — | — |
| 5JIY | Structure of G9a SET-domain with Histone H3K9norLeucine mutant peptide and bound… | x-ray diffraction | A, B | ZN, SAM | 10 (best 0.80) |
| 5JIY | Structure of G9A set-domain with histone H3K9NORLEUCINE mutant peptide and bound… | x-ray diffraction | A, B | — | — |
| 5JJ0 | Structure of G9a SET-domain with Histone H3K9M peptide and excess SAH | x-ray diffraction | A, B | ZN, SAM | 10 (best 0.80) |
| 5JJ0 | Structure of G9A set-domain with histone H3K9M peptide and excess sah | x-ray diffraction | A, B | — | — |
| 5T0K | Structure of G9a SET-domain with H3K9M mutant peptide and SAM | x-ray diffraction | A, B | ZN, SAM | 9 (best 0.80) |
| 5T0K | Structure of G9A set-domain with H3K9M mutant peptide and SAM | x-ray diffraction | A, B | ZN | — |
| 5T0M | A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading | x-ray diffraction | A, B | ZN, SAM, SAH | 9 (best 0.80) |
| 5T0M | A histone H3K9M mutation traps histone methyltransferase CLR4 to prevent heterochromatin spreading | x-ray diffraction | A, B | ZN | — |
| 5TTF | Crystal structure of catalytic domain of G9a with MS012 | x-ray diffraction | A, B, C, D | ZN, SAM, 7KZ, CL, UNX | 18 (best 0.81) |
| 5TTF | Crystal structure of catalytic domain of G9A with MS012 | x-ray diffraction | A, B, C, D | ZN, 7KZ, CL, UNX | — |
| 5TUY | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124 | x-ray diffraction | A, B | ZN, SAM, 7L6 | 6 (best 0.79) |
| 5TUY | Structure of human G9A set-domain (EHMT2) in complex with inhibitor MS0124 | x-ray diffraction | A, B | ZN, 7L6 | — |
| 5V9I | Crystal structure of catalytic domain of G9a with MS0105 | x-ray diffraction | A, B, C, D | ZN, SAM, 90P, UNX | 20 (best 0.80) |
| 5V9I | Crystal structure of catalytic domain of G9A with MS0105 | x-ray diffraction | A, B, C, D | ZN, 90P, UNX | — |
| 5VSC | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13 | x-ray diffraction | A, B | ZN, SAM, 9HJ | 9 (best 0.80) |
| 5VSC | Structure of human G9A set-domain (EHMT2) in complex with inhibitor 13 | x-ray diffraction | A, B | ZN, 9HJ | — |
| 5VSE | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17… | x-ray diffraction | A, B | ZN, SAM, 9HG | 8 (best 0.80) |
| 5VSE | Structure of human G9A set-domain (EHMT2) in complex with inhibitor 17… | x-ray diffraction | A, B | ZN, 9HG | — |
| 6MM1 | Structure of the cysteine-rich region from human EHMT2 | x-ray diffraction | A, B, C, D | ZN | — |
| 6MM1 | Structure of the cysteine-rich region from human EHMT2 | x-ray diffraction | A, B, C, D | ZN | — |
| 7BTV | Crystal structure of EHMT2 SET domain in complex with compound 5. | x-ray diffraction | A, B | ZN, SAM, N47 | 7 (best 0.80) |
| 7BTV | Crystal structure of EHMT2 set domain in complex with compound 5. | x-ray diffraction | A, B | ZN, N47 | — |
| 7BUC | Crystal structure of EHMT2 SET domain in complex with compound 13 | x-ray diffraction | A, B | ZN, SAM, F80 | 7 (best 0.81) |
| 7BUC | Crystal structure of EHMT2 set domain in complex with compound 13 | x-ray diffraction | A, B | ZN, F80 | — |
| 7DCF | Crystal structure of EHMT2 SET domain in complex with compound 10 | x-ray diffraction | A, B | ZN, SAM, H30 | 9 (best 0.80) |
| 7DCF | Crystal structure of EHMT2 set domain in complex with compound 10 | x-ray diffraction | A, B | ZN, H30 | — |
| 7T7L | Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1) | x-ray diffraction | A, B, C, D | ZN, SAM, G5U, G4R | 18 (best 0.81) |
| 7T7L | Structure of human G9A set-domain (EHMT2) in complex with covalent inhibitor (compound 1) | x-ray diffraction | A, B, C, D | ZN, G5U, G4R | — |
| 7X73 | Structure of G9a in complex with RK-701 | x-ray diffraction | A, B | ZN, SFG, J26 | 10 (best 0.80) |
| 7XUA | Structure of G9a in complex with compound 10a | x-ray diffraction | A, B | ZN, SFG, I5X | 9 (best 0.81) |
| 7XUB | Structure of G9a in complex with compound 10d | x-ray diffraction | A, B | ZN, SFG, I6L | 9 (best 0.81) |
| 7XUC | Structure of G9a in complex with compound 11a | x-ray diffraction | A, B | ZN, SFG, I6S, CL | 11 (best 0.80) |
| 7XUD | Structure of G9a in complex with compound 26a | x-ray diffraction | A, B | ZN, CL, SFG, I6Z | 11 (best 0.80) |
| 8VV8 | Crystal Structure of EHMT2 bound to EZM8266 | x-ray diffraction | A, B | SAM, A1AEB, ZN | 10 (best 0.80) |
| Q96KQ7 | AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase EHMT2 (Q96KQ7) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 34 records
- SAM · S-adenosylmethionine · in 16 records
- SFG · Sinefungin · in 5 records
- CL · Chloride ion · in 4 records
- UNX · Unknown atom or ion · in 4 records
- 7KZ · N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine · in 2 records
- 7L6 · 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine · in 2 records
- 90P · N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine · in 2 records
- 9HG · N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine · in 2 records
- 9HJ · 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine · in 2 records
- F80 · N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl) phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine · in 2 records
- G4R · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide · in 2 records
- G5U · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl) propanamide · in 2 records
- H30 · 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl) spiro[cyclobutane-1,3'-indole]-2'-amine · in 2 records
- N47 · N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine · in 2 records
- A1AEB · (2R)-1-(azetidin-1-yl)-3-(2-methoxy-5-{[4-methyl-6-(methylamino)pyrimidin-2-yl]amino}phenoxy)propan-2-ol · in 1 record
- I5X · ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide · in 1 record
- I6L · ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide · in 1 record
- I6S · 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide · in 1 record
- I6Z · ~{N}-[(2~{S})-4-cyclopropyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide · in 1 record
- J26 · N-[(2S)-1-[(4-cyanophenyl)amino]-4-cyclopropyl-1-oxidanylidene-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxamide · in 1 record
- SAH · S-adenosyl-L-homocysteine · in 1 record
Experiment against prediction
- 5TTF chain A against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.33 Å
- 5VSE chain B against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.39 Å
- 5TUY chain B against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.38 Å
- 5VSC chain B against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.40 Å
- 5VSC chain A against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.39 Å
- 5V9I chain A against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.41 Å
- 5TUY chain A against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.40 Å
- 7T7L chain C against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.40 Å
- 5VSE chain A against the predicted model Q96KQ7: TM-score 1.00, RMSD 0.41 Å
- 7T7L chain B against the predicted model Q96KQ7: TM-score 0.99, RMSD 0.43 Å
Elsewhere
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