2YHI
Trypanosoma brucei PTR1 in complex with inhibitor WH16
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, C | PTERIDINE REDUCTASE, PUTATIVE | polymer | 288 | 30685.8 | 2 | UniProt (Q581W1) Pfam (PF13561) In PDB | TRYPANOSOMA BRUCEI | PTR1 |
2 | B, D | PTERIDINE REDUCTASE, PUTATIVE | polymer | 288 | 30669.8 | 2 | UniProt (Q581W1) Pfam (PF13561) In PDB | TRYPANOSOMA BRUCEI | PTR1 |
3 | A, B, C, D | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) | |||
4 | A, B, C, D | 5-(2-CHLOROETHYL)-1,3,4-THIADIAZOL-2-AMINE | non-polymer | 163.6 | 4 | Chemie (W16) | |||
5 | A | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL | non-polymer | 154.3 | 1 | Chemie (DTV) | |||
6 | A, D | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
7 | B | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL | non-polymer | 154.3 | 1 | Chemie (DTU) | |||
8 | C, D | 2,3-DIHYDROXY-1,4-DITHIOBUTANE | non-polymer | 154.3 | 2 | Chemie (DTT) | |||
9 | water | water | 18.0 | 536 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 268 (UniProt: Q581W1)
B, D: 1 - 268 (UniProt: Q581W1)
PDB | External Database | Details |
---|---|---|
Met -19 | - | expression tag |
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 |
PDB | External Database | Details |
---|---|---|
Met -19 | - | expression tag |
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 | 4 |
Total formula weight | 122711.2 | |
Non-Polymers* | Number of molecules | 14 |
Total formula weight | 4363.2 | |
All* | Total formula weight | 127074.4 |