8OWR
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-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, L, O (A, B, C, D) | CYTIDINE-5'-TRIPHOSPHATE | non-polymer | 483.2 | 4 | Chemie (CTP) | |||
| 3 | F, J, M (A, B, C) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 4 | G, N (A, C) | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | non-polymer | 389.4 | 2 | Chemie (W5E) | |||
| 5 | H, K, P, Q (A, B, D) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 6 | R, S, T, U (A, B, C, D) | water | water | 18.0 | 199 | 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 | 13 |
| Total formula weight | 3067.8 | |
| All* | Total formula weight | 102163.7 |
