3FL8
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a TMP-dihydrophthalazine derivative
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 | 166 | 19615.5 | 8 | UniProt (Q81R22) Pfam (PF00186) | Bacillus anthracis (anthrax) | |
| 2 | I, K, M, O, Q... (A, B, C, D, E...) | CALCIUM ION | non-polymer | 40.1 | 8 | Chemie (CA) | |||
| 3 | J, L, N, P, R... (A, B, C, D, E...) | 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine | non-polymer | 486.6 | 8 | Chemie (RAR) | |||
| 4 | AA, BA, CA, DA, EA... (C, D, E, F, G...) | water | water | 18.0 | 1521 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 162 (UniProt: Q81R22)
| PDB | External Database | Details |
|---|---|---|
| Leu 163 | - | expression tag |
| Val 164 | - | expression tag |
| Pro 165 | - | expression tag |
| Arg 166 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 156923.6 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 4213.2 | |
| All* | Total formula weight | 161136.8 |
