3F69
Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720
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) | Serine/threonine-protein kinase pknB | polymer | 311 | 33550.5 | 2 | UniProt (P0A5S4) Pfam (PF00069) UniProt (by SIFTS) (P9WI81) | Mycobacterium tuberculosis | |
| 2 | C, F (A, B) | hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate | non-polymer | 535.6 | 2 | Chemie (XDR) | |||
| 3 | D, E, G, H (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | I, J (A, B) | water | water | 18.0 | 30 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 308 (UniProt: P0A5S4)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Asp 33 | Leu 33 | engineered mutation |
| Leu 145 | Met 145 | engineered mutation |
| Val 155 | Met 155 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67101.0 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1455.4 | |
| All* | Total formula weight | 68556.4 |
