3L3R
Structural, Computational and Kinetic Data for Antifolate Interactions Against Pneumocystis jirovecii, Pneumocystis carinii and Human Dihydrofolate Reductase and Their Active Site Mutants
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 | 186 | 21350.6 | 1 | UniProt (P00374) Pfam (PF00186) | Homo sapiens | |
| 2 | B (A) | 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine | non-polymer | 335.2 | 1 | Chemie (OAG) | |||
| 3 | C (A) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 1 | Chemie (NDP) | |||
| 4 | D (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | E (A) | water | water | 18.0 | 189 | Chemie (HOH) |
Sequence modifications
A: 1 - 186 (UniProt: P00374)
| PDB | External Database | Details |
|---|---|---|
| Lys 35 | Gln 36 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21350.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1176.7 | |
| All* | Total formula weight | 22527.3 |
