7KI8
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001580
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 (strain Agy99) | |
| 2 | B (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 3 | C (A) | 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid | non-polymer | 414.5 | 1 | Chemie (WFA) | |||
| 4 | D (A) | water | water | 18.0 | 226 | 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 | 2 |
| Total formula weight | 1157.9 | |
| All* | Total formula weight | 20193.5 |
