7KM8
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001914, orthorhombic crystal from
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Dihydrofolate reductase | polymer | 173 | 19035.6 | 2 | UniProt (A0PQG8) Pfam (PF00186) In PDB | Mycobacterium ulcerans (strain Agy99) | |
2 | A, B | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
3 | A, B | (2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid | non-polymer | 410.4 | 2 | Chemie (WPD) | |||
4 | A, B | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
5 | water | water | 18.0 | 523 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
Total formula weight | 38071.2 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 2449.5 | |
All* | Total formula weight | 40520.7 |