6OFC
Crystal structure of M. tuberculosis glutamine-dependent NAD+ synthetase complexed with Sulfonamide derivative 1, pyrophosphate, and glutamine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Glutamine-dependent NAD(+) synthetase | polymer | 679 | 74736.3 | 4 | UniProt (P9WJJ2) Pfam (PF00795) Pfam (PF02540) UniProt (by SIFTS) (P9WJJ3) | Mycobacterium tuberculosis CDC1551 | NAD(+) synthase [glutamine-hydrolyzing] |
| 2 | E, F, G, J, K... (A, B, C, D) | 5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine | non-polymer | 451.4 | 8 | Chemie (SFH) | |||
| 3 | H, I, M, T (A, B, D) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 4 | N (B) | PYROPHOSPHATE 2- | non-polymer | 176.0 | 1 | Chemie (POP) | |||
| 5 | O, R, U (B, C, D) | GLUTAMINE | non-polymer | 146.1 | 3 | Chemie (GLN) | |||
| 6 | P, V (B, D) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | W, X, Y, Z (A, B, C, D) | water | water | 18.0 | 42 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 679 (UniProt: P9WJJ2)
| PDB | External Database | Details |
|---|---|---|
| Ala 176 | Cys 176 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 298945.1 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 4551.7 | |
| All* | Total formula weight | 303496.8 |
