9MLT
Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid (TSD25 or OFD)
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 | 195 | 22381.8 | 1 | UniProt (J9F199) Pfam (PF00186) UniProt (by SIFTS) (A0A4E9FIQ4) | Wuchereria bancrofti | |
| 2 | B (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 3 | C (A) | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid | non-polymer | 442.4 | 1 | Chemie (OFD) | |||
| 4 | D (A) | water | water | 18.0 | 70 | Chemie (HOH) |
Sequence modifications
A: 2 - 185 (UniProt: J9F199)
| PDB | External Database | Details |
|---|---|---|
| Met -9 | - | initiating methionine |
| Ala -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Met 0 | - | expression tag |
| Ala 1 | - | expression tag |
| Val 119 | - | insertion |
| Tyr 120 | - | insertion |
| Glu 121 | - | insertion |
| Leu 122 | - | insertion |
| Gly 123 | - | insertion |
| Leu 124 | - | insertion |
| Asn 125 | - | insertion |
| Ser 126 | - | insertion |
| Pro 127 | - | insertion |
| Phe 128 | - | insertion |
| Leu 129 | - | insertion |
| His 130 | - | insertion |
| Gln 131 | - | insertion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 22381.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1185.8 | |
| All* | Total formula weight | 23567.6 |
