8U0Q
Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series
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) | Dihydrolipoyl dehydrogenase | polymer | 466 | 49437.0 | 2 | UniProt (P9WHH9) Pfam (PF12831) Pfam (PF00070) Pfam (PF02852) | Mycobacterium tuberculosis | LPD,Component of peroxynitrite reductase/peroxidase complex,Component of PNR/P,Dihydrolipoamide dehydrogenase,E3 component of alpha-ketoacid dehydrogenase complexes |
| 2 | BA, C (B, A) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 3 | D, Y (A) | N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide | non-polymer | 425.4 | 2 | Chemie (U4I) | |||
| 4 | AA, CA, DA, E, EA... (B, A) | GLYCEROL | non-polymer | 92.1 | 36 | Chemie (GOL) | |||
| 5 | QA, RA (A, B) | water | water | 18.0 | 547 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 464 (UniProt: P9WHH9)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 98874.1 | |
| Non-Polymers* | Number of molecules | 40 |
| Total formula weight | 5737.4 | |
| All* | Total formula weight | 104611.5 |
