8TA0
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881
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-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid | non-polymer | 438.5 | 1 | Chemie (DQI) | |||
| 3 | C (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 4 | D (A) | water | water | 18.0 | 134 | 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 | 1181.9 | |
| All* | Total formula weight | 20217.5 |
