9NWY
Discovery of MTA-cooperative PRMT5 Inhibitors from Co-factor directed DNA-Encoded Library Screens
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Protein arginine N-methyltransferase 5 | polymer | 650 | 74281.3 | 1 | UniProt (O14744) Pfam (PF17285) Pfam (PF05185) Pfam (PF17286) | Homo sapiens (human) | 72 kDa ICln-binding protein,Histone-arginine N-methyltransferase PRMT5,Jak-binding protein 1,Shk1 kinase-binding protein 1 homolog,SKB1Hs |
| 2 | B (B) | Methylosome protein 50 | polymer | 344 | 36883.3 | 1 | UniProt (Q9BQA1) Pfam (PF00400) | Homo sapiens (human) | MEP-50,Androgen receptor cofactor p44,WD repeat-containing protein 77,p44/Mep50 |
| 3 | C (A) | 2-amino-3-methyl-N-(2-methylpropyl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}quinoline-6-carboxamide | non-polymer | 416.4 | 1 | Chemie (A1B6Y) PubChem (156830513) | |||
| 4 | D (A) | 5'-DEOXY-5'-METHYLTHIOADENOSINE | non-polymer | 297.3 | 1 | Chemie (MTA) PubChem (149) PubChem (439176) PubChem (25322898) PubChem (40467850) PubChem (44264468) PubChem (46874793) PubChem (688097) PubChem (51397471) PubChem (57104771) PubChem (51397472) PubChem (58108938) PubChem (58682801) PubChem (59099797) PubChem (6541356) PubChem (99302) PubChem (91614589) PubChem (453683) PubChem (13101165) PubChem (13101166) PubChem (98100246) PubChem (124300729) PubChem (124300795) PubChem (134694842) PubChem (138107656) PubChem (164077596) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 23 | Chemie (HOH) |
Sequence modifications
A: 1 - 637 (UniProt: O14744)
B: 2 - 342 (UniProt: Q9BQA1)
| PDB | External Database | Details |
|---|---|---|
| Met -12 | - | expression tag |
| Asp -11 | - | expression tag |
| Tyr -10 | - | expression tag |
| Lys -9 | - | expression tag |
| Asp -8 | - | expression tag |
| Asp -7 | - | expression tag |
| Asp -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Lys -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Arg -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Thr 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Leu 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 111164.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 713.8 | |
| All* | Total formula weight | 111878.4 |
