7K6C
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium abscessus ATCC 19977 / DSM 44196 with NADP and inhibitor P218
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...) | Dihydrofolate reductase | polymer | 171 | 18650.1 | 7 | UniProt (B1MD46) Pfam (PF00186) | Mycobacteroides abscessus (strain ATCC 19977 / DSM 44196 / CIP 104536 / JCM 13569 / NCTC 13031 / TMC 1543) | |
| 2 | CA, H, K, P, T... (G, A, B, C, D...) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 7 | Chemie (NAP) | |||
| 3 | AA, DA, I, L, Q... (F, G, A, B, C...) | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid | non-polymer | 360.4 | 7 | Chemie (MMV) | |||
| 4 | J, N, O, S (A, B, C) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 5 | BA, EA, M, R, V... (F, G, B, C, D...) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 6 | FA, GA, HA, IA, JA... (A, B, C, D, E...) | water | water | 18.0 | 851 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G: 1 - 163 (UniProt: B1MD46)
| PDB | External Database | Details |
|---|---|---|
| Met -7 | - | initiating methionine |
| Ala -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
| Ser 84 | Cys 84 | engineered mutation |
| Thr 141 | Glu 141 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 7 |
| Total formula weight | 130550.7 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 8259.4 | |
| All* | Total formula weight | 138810.1 |
