5SCP
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23
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 | 179 | 19832.4 | 2 | UniProt (P9WNX1) Pfam (PF00186) In PDB | Mycobacterium tuberculosis H37Rv | |
2 | A, B | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
3 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
4 | A, B | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide | non-polymer | 359.4 | 2 | Chemie (GWL) | |||
5 | B | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
6 | water | water | 18.0 | 290 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 159 (UniProt: P9WNX1)
PDB | External Database | Details |
---|---|---|
Met -19 | - | initiating methionine |
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 39664.7 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 2365.2 | |
All* | Total formula weight | 42030.0 |