6Y2I
Crystal structure of M. tuberculosis KasA in complex with N-(1H-indazol-5-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 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | polymer | 435 | 45400.1 | 2 | UniProt (P9WQD9) Pfam (PF00109) Pfam (PF02801) In PDB | Mycobacterium tuberculosis H37Rv | Beta-ketoacyl-ACP synthase 1,KAS 1 |
2 | AAA, BBB | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
3 | AAA, BBB | ~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide | non-polymer | 253.3 | 2 | Chemie (O6Z) | |||
4 | AAA, BBB | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
5 | AAA, BBB | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
6 | water | water | 18.0 | 870 | Chemie (HOH) |
Sequence modifications
AAA, BBB: 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 | 2 |
Total formula weight | 90800.3 | |
Non-Polymers* | Number of molecules | 16 |
Total formula weight | 1561.8 | |
All* | Total formula weight | 92362.0 |