2YAU
X-ray structure of the Leishmania infantum tryopanothione reductase in complex with auranofin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | TRYPANOTHIONE REDUCTASE | polymer | 511 | 55257.5 | 2 | UniProt (A4HSF7) Pfam (PF07992) Pfam (PF02852) | LEISHMANIA INFANTUM | |
| 2 | C, I (A, B) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 3 | D, J (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 4 | E, K (A, B) | GOLD ION | non-polymer | 197.0 | 2 | Chemie (AU) PubChem (114945) | |||
| 5 | F, L (A, B) | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose | non-polymer | 364.4 | 2 | Chemie (TS8) PubChem (153711) PubChem (7364137) PubChem (7364140) PubChem (7364143) PubChem (10372383) PubChem (11068499) PubChem (11100577) PubChem (11187637) PubChem (11520850) PubChem (12047165) PubChem (13367316) PubChem (13633135) PubChem (44396725) PubChem (45050522) PubChem (46878608) PubChem (88293) PubChem (87541105) PubChem (89375539) PubChem (10904578) PubChem (57417072) PubChem (13367315) PubChem (88530304) PubChem (88656772) PubChem (89022615) PubChem (89122116) PubChem (89375541) PubChem (89552750) PubChem (90842487) PubChem (92221033) PubChem (124522583) PubChem (124552805) PubChem (124584757) PubChem (124921039) PubChem (126541546) PubChem (134693198) PubChem (146838535) PubChem (154925630) PubChem (155816250) | |||
| 6 | G, M (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) PubChem (312) | |||
| 7 | H, N (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) |
Sequence modifications
A, B: 1 - 491 (UniProt: A4HSF7)
| 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 | 2 |
| Total formula weight | 110515.1 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4447.6 | |
| All* | Total formula weight | 114962.7 |
