4TN4
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Serine hydroxymethyltransferase | polymer | 442 | 49249.2 | 3 | UniProt (A5K8L9) Pfam (PF00464) | Plasmodium vivax | |
| 2 | D, H, K (A, B, C) | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | non-polymer | 306.2 | 3 | Chemie (PLG) | |||
| 3 | E, I, L (A, B, C) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 3 | Chemie (BME) | |||
| 4 | F, J, M (A, B, C) | (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | non-polymer | 425.5 | 3 | Chemie (33G) | |||
| 5 | G, N (A, C) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | O, P, Q (A, B, C) | water | water | 18.0 | 482 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 147747.5 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 2500.3 | |
| All* | Total formula weight | 150247.8 |
