6Y2J
Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide
This is a non-PDB format compatible entry.
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | AAA, BBB, CCC, DDD, EEE... | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | polymer | 435 | 45400.1 | 8 | UniProt (P9WQD9) Pfam (PF00109) Pfam (PF02801) In PDB | Mycobacterium tuberculosis H37Rv | Beta-ketoacyl-ACP synthase 1,KAS 1 |
2 | GGG, HHH, AAA, BBB, CCC... | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 8 | Chemie (PG4) | |||
3 | GGG, HHH, AAA, BBB, CCC... | SODIUM ION | non-polymer | 23.0 | 8 | Chemie (NA) | |||
4 | GGG, HHH, AAA, BBB, CCC... | 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide | non-polymer | 318.3 | 8 | Chemie (O6W) | |||
5 | water | water | 18.0 | 898 | Chemie (HOH) |
Sequence modifications
AAA, BBB, CCC, DDD, EEE, FFF, GGG, HHH: 2 - 416 (UniProt: P9WQD9)
PDB | External Database | Details |
---|---|---|
Met -18 | - | initiating methionine |
Gly -17 | - | expression tag |
Ser -16 | - | expression tag |
Ser -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
Ser -8 | - | expression tag |
Ser -7 | - | expression tag |
Gly -6 | - | expression tag |
Leu -5 | - | expression tag |
Val -4 | - | expression tag |
Pro -3 | - | expression tag |
Arg -2 | - | expression tag |
Gly -1 | - | expression tag |
Ser 0 | - | expression tag |
His 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 8 |
Total formula weight | 363201.2 | |
Non-Polymers* | Number of molecules | 24 |
Total formula weight | 4284.2 | |
All* | Total formula weight | 367485.4 |