8CT4
Cryo-EM structure of Mtb Lpd bound to inhibitor complex with 2-((2-cyano-N,5-dimethyl-1H-indole)-7-sulfonamido)-N-(4-(oxetan-3-yl)-3,4-dihydro-2H-benzo[b] [1,4]oxazin-7-yl)acetamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Dihydrolipoyl dehydrogenase | polymer | 466 | 49437.0 | 2 | UniProt (P9WHH9) Pfam (PF12831) Pfam (PF00070) Pfam (PF02852) In PDB | Mycobacterium tuberculosis | LPD,Component of peroxynitrite reductase/peroxidase complex,Component of PNR/P,Dihydrolipoamide dehydrogenase,E3 component of alpha-ketoacid dehydrogenase complexes |
| 2 | A, B | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 3 | A, B | N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide | non-polymer | 495.6 | 2 | Chemie (OU6) | |||
| 4 | water | water | 18.0 | 665 | 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 | 4 |
| Total formula weight | 2562.2 | |
| All* | Total formula weight | 101436.3 |
