8OWP
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(4-hydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
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 MC2 155 | DNA/pantothenate metabolism flavoprotein |
| 2 | E, I, K, O (A, B, C, D) | CYTIDINE-5'-TRIPHOSPHATE | non-polymer | 483.2 | 4 | Chemie (CTP) | |||
| 3 | F, J, L, P (A, B, C, D) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 4 | G, H, M (A, C) | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | non-polymer | 357.4 | 3 | Chemie (W52) | |||
| 5 | N (C) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 6 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 340 | 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 | 12 |
| Total formula weight | 3224.1 | |
| All* | Total formula weight | 102320.0 |
