6PFG
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid.
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, D, E (A, B, C, D, E) | Bifunctional dihydrofolate reductase-thymidylate synthase | polymer | 521 | 60262.5 | 5 | UniProt (A0A0S4TER9) Pfam (PF00186) Pfam (PF00303) | Cryptosporidium hominis | |
| 2 | F, K, P, U, Z (A, B, C, D, E) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 5 | Chemie (NDP) | |||
| 3 | AA, G, L, Q, V (E, A, B, C, D) | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | non-polymer | 326.2 | 5 | Chemie (UFP) | |||
| 4 | BA, H, M, R, W (E, A, B, C, D) | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid | non-polymer | 446.4 | 5 | Chemie (OFJ) | |||
| 5 | CA, I, N, S, X (E, A, B, C, D) | METHOTREXATE | non-polymer | 454.4 | 5 | Chemie (MTX) | |||
| 6 | DA, EA, J, O, T... (E, A, B, C, D) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 7 | FA, GA, HA, IA, JA (A, B, C, D, E) | water | water | 18.0 | 462 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 301312.6 | |
| Non-Polymers* | Number of molecules | 26 |
| Total formula weight | 10438.6 | |
| All* | Total formula weight | 311751.2 |
