4TMR
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate .
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, putative | polymer | 442 | 49249.2 | 3 | UniProt (A5K8L9) Pfam (PF00464) | Plasmodium vivax | |
| 2 | D, F, I (A, B, C) | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | non-polymer | 306.2 | 3 | Chemie (PLG) | |||
| 3 | E, G, J (A, B, C) | methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate | non-polymer | 459.5 | 3 | Chemie (99S) | |||
| 4 | H, K (B, C) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | L, M, N (A, B, C) | water | water | 18.0 | 217 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 147747.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2368.1 | |
| All* | Total formula weight | 150115.6 |
