UniProt Q9H9B1
Histone-lysine N-methyltransferase EHMT1 (Q9H9B1)
Histone-lysine N-methyltransferase EHMT1 (UniProt Q9H9B1), EC 2.1.1.-, 2.1.1.367: 37 experimental structures and 1 predicted model on GenesisL1, 14 ligands bound, 49 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q9H9B1
- Protein
- Histone-lysine N-methyltransferase EHMT1
- EC
- 2.1.1.-, 2.1.1.367, 2.1.1.43
- Experimental structures
- 37
- Predicted models
- 1
- Ligands
- 14
- Pockets
- 49 · 5 records with a druggable one
Structures
38 records of Q9H9B1 in the MolNFT archive: 37 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2IGQ | Human euchromatic histone methyltransferase 1 | x-ray diffraction | A, B | — | — |
| 2IGQ | Human euchromatic histone methyltransferase 1 | x-ray diffraction | A, B | — | — |
| 2RFI | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex… | x-ray diffraction | A, B | — | — |
| 2RFI | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex… | x-ray diffraction | A, B | — | — |
| 3B7B | EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 1) | x-ray diffraction | A, B | — | — |
| 3B7B | EUHMT1 (glp) ankyrin repeat domain (structure 1) | x-ray diffraction | A, B | — | — |
| 3FPD | G9a-like protein lysine methyltransferase inhibition by BIX-01294 | x-ray diffraction | A, B | — | — |
| 3FPD | G9A-like protein lysine methyltransferase inhibition by bix- 01294 | x-ray diffraction | A, B | — | — |
| 3HNA | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex… | x-ray diffraction | A, B | — | — |
| 3HNA | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex… | x-ray diffraction | A, B | — | — |
| 3MO0 | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E11 | x-ray diffraction | A, B | — | — |
| 3MO0 | Human G9A-like (glp, also known as EHMT1) in complex with inhibitor E11 | x-ray diffraction | A, B | — | — |
| 3MO2 | human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67 | x-ray diffraction | A, B, C, D | — | — |
| 3MO2 | Human G9A-like (glp, also known as EHMT1) in complex with inhibitor E67 | x-ray diffraction | A, B, C, D | — | — |
| 3MO5 | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72 | x-ray diffraction | A, B, C, D | — | — |
| 3MO5 | Human G9A-like (glp, also known as EHMT1) in complex with inhibitor E72 | x-ray diffraction | A, B, C, D | — | — |
| 3SW9 | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me0 peptide | x-ray diffraction | A, B | — | — |
| 3SW9 | Glp (G9A-like protein) set domain in complex with DNMT3AK44ME0 peptide | x-ray diffraction | A, B | — | — |
| 3SWC | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide | x-ray diffraction | A, B | — | — |
| 3SWC | Glp (G9A-like protein) set domain in complex with DNMT3AK44ME2 peptide | x-ray diffraction | A, B | — | — |
| 4I51 | Methyltransferase domain of HUMAN EUCHROMATIC HISTONE METHYLTRANSFERASE 1, mutant Y1211A | x-ray diffraction | A, B | — | — |
| 4I51 | Methyltransferase domain of human euchromatic histone methyltransferase 1, mutant Y1211A | x-ray diffraction | A, B | — | — |
| 5TTG | Crystal structure of catalytic domain of GLP with MS012 | x-ray diffraction | A, B | SAM, 7KZ, ZN, CL, UNX | 8 (best 0.78) |
| 5TTG | Crystal structure of catalytic domain of glp with MS012 | x-ray diffraction | A, B | 7KZ, ZN, CL, UNX | — |
| 5TUZ | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124 | x-ray diffraction | A, B | SAM, ZN, 7L6 | 8 (best 0.78) |
| 5TUZ | Structure of human glp set-domain (EHMT1) in complex with inhibitor MS0124 | x-ray diffraction | A, B | ZN, 7L6 | — |
| 5V9J | Crystal structure of catalytic domain of GLP with MS0105 | x-ray diffraction | A, B | 90P, ZN, CL, UNX | — |
| 5V9J | Crystal structure of catalytic domain of glp with MS0105 | x-ray diffraction | A, B | 90P, ZN, CL, UNX | — |
| 5VSD | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 13 | x-ray diffraction | A, B | SAM, ZN, 9HJ | 7 (best 0.80) |
| 5VSD | Structure of human glp set-domain (EHMT1) in complex with inhibitor 13 | x-ray diffraction | A, B | ZN, 9HJ | — |
| 5VSF | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17 | x-ray diffraction | A, B | SAM, ZN, 9HG | 9 (best 0.81) |
| 5VSF | Structure of human glp set-domain (EHMT1) in complex with inhibitor 17 | x-ray diffraction | A, B | ZN, 9HG | — |
| 6BY9 | Crystal structure of EHMT1 | x-ray diffraction | A | UNX | — |
| 6MBO | Glp methyltransferase with inhibitor EML741-P212121 crystal form | x-ray diffraction | A, B | JDG, ZN | — |
| 6MBP | Glp methyltransferase with inhibitor EML741- P3121 crystal form | x-ray diffraction | A, B | JDG, ZN | — |
| 7T7M | Structure of human glp set-domain (EHMT1) in complex with covalent inhibitor (compound 1) | x-ray diffraction | A, B, C, D | ZN, G4R, G5U | — |
| 8XPT | The Crystal Structure of EHMT1 from Biortus. | x-ray diffraction | A, B, C, D | SAH, ZN, SO4 | 17 (best 0.81) |
| Q9H9B1 | AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase EHMT1 (Q9H9B1) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 14 records
- UNX · Unknown atom or ion · in 5 records
- CL · Chloride ion · in 4 records
- SAM · S-adenosylmethionine · 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
- JDG · 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine · 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 1 record
- G5U · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl) propanamide · in 1 record
- SAH · S-adenosyl-L-homocysteine · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 5VSD chain A against the predicted model Q9H9B1: TM-score 1.00, RMSD 0.37 Å
- 2RFI chain B against the predicted model Q9H9B1: TM-score 1.00, RMSD 0.40 Å
- 2RFI chain B against the predicted model Q9H9B1: TM-score 1.00, RMSD 0.40 Å
- 5TUZ chain A against the predicted model Q9H9B1: TM-score 1.00, RMSD 0.41 Å
- 5TUZ chain B against the predicted model Q9H9B1: TM-score 1.00, RMSD 0.41 Å
- 5TTG chain B against the predicted model Q9H9B1: TM-score 0.99, RMSD 0.43 Å
- 5VSD chain B against the predicted model Q9H9B1: TM-score 0.99, RMSD 0.44 Å
- 5VSF chain B against the predicted model Q9H9B1: TM-score 0.99, RMSD 0.46 Å
- 3B7B chain B against the predicted model Q9H9B1: TM-score 0.99, RMSD 0.46 Å
- 3B7B chain B against the predicted model Q9H9B1: TM-score 0.99, RMSD 0.46 Å
Elsewhere
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