6THC
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone
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) | Coenzyme A biosynthesis bifunctional protein CoaBC | polymer | 237 | 24774.0 | 4 | UniProt (A0QWT2) Pfam (PF04127) | Mycolicibacterium smegmatis | DNA/pantothenate metabolism flavoprotein |
| 2 | E, G, M, R (A, B, C, D) | CYTIDINE-5'-TRIPHOSPHATE | non-polymer | 483.2 | 4 | Chemie (CTP) | |||
| 3 | F, H, N, S (A, B, C, D) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 4 | I, J, K, O, T... (B, C, D) | (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone | non-polymer | 246.2 | 6 | Chemie (N9N) | |||
| 5 | L, P, Q (B, C) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 6 | V, W, X, Y (A, B, C, D) | water | water | 18.0 | 292 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 186 - 414 (UniProt: A0QWT2)
| PDB | External Database | Details |
|---|---|---|
| Met 178 | - | initiating methionine |
| Ala 179 | - | expression tag |
| His 180 | - | expression tag |
| His 181 | - | expression tag |
| His 182 | - | expression tag |
| His 183 | - | expression tag |
| His 184 | - | expression tag |
| His 185 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 99096.0 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 3747.4 | |
| All* | Total formula weight | 102843.3 |
