3CLB
Structure of bifunctional TcDHFR-TS in complex with TMQ
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) | DHFR-TS | polymer | 521 | 58904.1 | 4 | UniProt (Q27793) Pfam (PF00186) Pfam (PF00303) | Trypanosoma cruzi | |
| 2 | E, M, N, S (A, C, D) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 3 | F, J, O, T (A, B, C, D) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) | |||
| 4 | G, K, P, U (A, B, C, D) | TRIMETREXATE | non-polymer | 370.4 | 4 | Chemie (TMQ) | |||
| 5 | H, I, L, Q, R... (A, B, C, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 6 | W, X, Y, Z (A, B, C, D) | water | water | 18.0 | 94 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 521 (UniProt: Q27793)
| PDB | External Database | Details |
|---|---|---|
| Arg 32 | His 32 | SEE REMARK 999 |
| Val 55 | Leu 55 | SEE REMARK 999 |
| Gln 137 | Arg 137 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 235616.3 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 5212.0 | |
| All* | Total formula weight | 240828.3 |
