7K69
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001574
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 | 19051.7 | 1 | UniProt (A0PQG8) | Mycobacterium ulcerans (strain Agy99) | |
| 2 | B (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) PubChem (4412) PubChem (46936685) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (71717786) PubChem (5885) PubChem (165382010) | |||
| 3 | C (A) | 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid | non-polymer | 412.4 | 1 | Chemie (VY7) PubChem (155817668) | |||
| 4 | D (A) | SERINE | non-polymer | 105.1 | 1 | Chemie (SER) PubChem (617) PubChem (5951) PubChem (71077) | |||
| 5 | E (A) | water | water | 18.0 | 218 | Chemie (HOH) |
Sequence modifications
A: 1 - 165 (UniProt: A0PQG8)
| 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 |
| Ala 96 | Glu 96 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19051.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1260.9 | |
| All* | Total formula weight | 20312.6 |
