3H4V
Selective screening and design to identify inhibitors of leishmania major pteridine reductase 1
Replaces: 2P8KEntity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D, E... | Pteridine reductase 1 | polymer | 288 | 30440.6 | 8 | UniProt (Q01782) Pfam (PF13561) In PDB | Leishmania major | H region methotrexate resistance protein |
2 | A, B, C, D, E... | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 8 | Chemie (NAP) | |||
3 | A, B, C, D, E... | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | non-polymer | 436.5 | 8 | Chemie (DVP) | |||
4 | water | water | 18.0 | 1098 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 288 (UniProt: Q01782)
PDB | External Database | Details |
---|---|---|
Val 162 | Phe 162 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 8 |
Total formula weight | 243524.6 | |
Non-Polymers* | Number of molecules | 16 |
Total formula weight | 9439.0 | |
All* | Total formula weight | 252963.6 |