3KJS
Crystal Structure of T. cruzi DHFR-TS with 3 high affinity DHFR inhibitors: DQ1 inhibitor complex
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 (A, B, C, D) | Dihydrofolate reductase-thymidylate synthase | polymer | 521 | 58904.1 | 4 | UniProt (Q8T5T8) | Trypanosoma cruzi | |
| 2 | AA, E, M, S (D, A, B, C) | ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate | non-polymer | 425.5 | 4 | Chemie (DQ1) PubChem (16038397) | |||
| 3 | CA, F, N, V (D, A, B, C) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010) | |||
| 4 | BA, G, L, O, T... (D, A, B, C) | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 5 | DA, EA, FA, GA, H... (D, A, B, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 13 | Chemie (EDO) | |||
| 6 | HA, IA, JA, KA (A, B, C, D) | water | water | 18.0 | 737 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 235616.3 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 6250.9 | |
| All* | Total formula weight | 241867.2 |
