4GR9
Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation
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) | Ribosyldihydronicotinamide dehydrogenase [quinone] | polymer | 230 | 25849.3 | 2 | UniProt (P16083) Pfam (PF02525) | Homo sapiens (human) | Quinone reductase 2, QR2, NRH dehydrogenase [quinone] 2, NRH:quinone oxidoreductase 2 |
| 2 | C, F (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, H (A, B) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 4 | E, I (A, B) | N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide | non-polymer | 243.3 | 2 | Chemie (372) | |||
| 5 | G (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 212 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 230 (UniProt: P16083)
| PDB | External Database | Details |
|---|---|---|
| Phe 46 | Leu 47 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51698.7 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 2280.5 | |
| All* | Total formula weight | 53979.2 |
