3JVX
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)
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 | 168 | 20021.8 | 2 | UniProt (Q81R22) Pfam (PF00186) In PDB | Bacillus anthracis | |
2 | A, B | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
3 | A, B | 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine | non-polymer | 342.4 | 2 | Chemie (EKB) | |||
4 | water | water | 18.0 | 234 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 162 (UniProt: Q81R22)
PDB | External Database | Details |
---|---|---|
His -5 | - | expression tag |
His -4 | - | expression tag |
His -3 | - | expression tag |
His -2 | - | expression tag |
His -1 | - | expression tag |
His 0 | - | expression tag |
Arg 2 | Ile 2 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 40043.5 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 2175.6 | |
All* | Total formula weight | 42219.2 |