8F82
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Dihydrofolate reductase | polymer | 173 | 19035.6 | 1 | UniProt (A0PQG8) Pfam (PF00186) | Mycobacterium ulcerans | |
| 2 | B (A) | 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid | non-polymer | 476.4 | 1 | Chemie (XJT) | |||
| 3 | C (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 4 | D (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 5 | E (A) | BROMIDE ION | non-polymer | 79.9 | 1 | Chemie (BR) | |||
| 6 | F (A) | water | water | 18.0 | 196 | Chemie (HOH) |
Sequence modifications
A: 1 - 165 (UniProt: A0PQG8)
| PDB | External Database | Details |
|---|---|---|
| Met -7 | - | expression tag |
| 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 89 | Cys 89 | engineered mutation |
| Ala 96 | Glu 96 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19035.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1417.9 | |
| All* | Total formula weight | 20453.5 |
