3K5K
Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | polymer | 283 | 32604.9 | 2 | UniProt (Q96KQ7) Pfam (PF05033) Pfam (PF00856) | Homo sapiens (human) | Protein G9a, Histone H3-K9 methyltransferase 3, H3-K9-HMTase 3, Euchromatic histone-lysine N-methyltransferase 2, HLA-B-associated transcript 8, Lysine N-methyltransferase 1C |
| 2 | C, D, E, F, L... (A, B) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 3 | G, P (A, B) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 2 | Chemie (SAH) PubChem (16760024) PubChem (193) PubChem (25210495) PubChem (13792) PubChem (177678424) PubChem (44361184) PubChem (21125603) PubChem (46936206) PubChem (50989525) PubChem (25203782) PubChem (51380914) PubChem (52224398) PubChem (189149) PubChem (57544532) PubChem (439155) PubChem (59046843) PubChem (59170628) PubChem (59576228) PubChem (66805708) PubChem (70689219) PubChem (70702054) PubChem (70832431) PubChem (52224400) PubChem (5284331) PubChem (6419189) PubChem (118374891) PubChem (118560068) PubChem (71170554) PubChem (13231890) PubChem (164157219) PubChem (126969526) PubChem (129105892) PubChem (143518505) PubChem (154578335) PubChem (163054214) PubChem (163335525) | |||
| 4 | H, Q (A, B) | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine | non-polymer | 485.7 | 2 | Chemie (DXQ) PubChem (44251522) | |||
| 5 | I, J, R, S (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) PubChem (312) | |||
| 6 | K, T (A, B) | UNKNOWN ATOM OR ION | non-polymer | 2 | Chemie (UNX) | ||||
| 7 | U, V (A, B) | water | water | 18.0 | 459 | Chemie (HOH) |
Sequence modifications
A, B: 913 - 1193 (UniProt: Q96KQ7)
| PDB | External Database | Details |
|---|---|---|
| Gly 911 | - | expression tag |
| Ser 912 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65209.8 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 2405.2 | |
| All* | Total formula weight | 67615.1 |
