5G3J
Discovery of New Selective Glucocorticoid Receptor Agonist Leads
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | GLUCOCORTICOID RECEPTOR | polymer | 280 | 32187.1 | 1 | UniProt (P04150) Pfam (PF00104) In PDB | HOMO SAPIENS (HUMAN) | GR, NUCLEAR RECEPTOR SUBFAMILY 3 GROUP C MEMBER 1 |
| 2 | B | NUCLEAR RECEPTOR COACTIVATOR 2 | polymer | 14 | 1708.9 | 1 | UniProt (Q15596) In PDB | HOMO SAPIENS | NCOA-2, CLASS E BASIC HELIX-LOOP-HELIX PROTEIN 75, BHLHE75, TRANSCRIPTIONAL INTERMEDIARY FACTOR 2, HTIF2, NCOA2 |
| 3 | A | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE | non-polymer | 614.9 | 1 | Chemie (CPS) | |||
| 4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | A | 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one | non-polymer | 454.4 | 1 | Chemie (E7T) | |||
| 6 | water | water | 18.0 | 73 | Chemie (HOH) |
Sequence modifications
A: 500 - 777 (UniProt: P04150)
| PDB | External Database | Details |
|---|---|---|
| Gly 498 | - | expression tag |
| Ser 499 | - | expression tag |
| Asp 517 | Asn 517 | engineered mutation |
| Met 571 | Val 571 | engineered mutation |
| Ser 602 | Phe 602 | engineered mutation |
| Asp 638 | Cys 638 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 33896.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1131.3 | |
| All* | Total formula weight | 35027.4 |
