2Y31
Simocyclinone C4 bound form of TetR-like repressor SimR
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | PUTATIVE REPRESSOR SIMREG2 | polymer | 267 | 30240.2 | 2 | UniProt (Q9AMH9) Pfam (PF00440) Pfam (PF02909) In PDB | STREPTOMYCES ANTIBIOTICUS | SIMR, SIM16 |
| 2 | A, B | SIMOCYCLINONE C4 | non-polymer | 722.7 | 2 | Chemie (SMQ) | |||
| 3 | A | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 4 | A | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 5 | A, B | CHLORIDE ION | non-polymer | 35.5 | 8 | Chemie (CL) | |||
| 6 | B | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 7 | water | water | 18.0 | 277 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 259 (UniProt: Q9AMH9)
| PDB | External Database | Details |
|---|---|---|
| Leu 260 | - | expression tag |
| Glu 261 | - | expression tag |
| His 262 | - | expression tag |
| His 263 | - | expression tag |
| His 264 | - | expression tag |
| His 265 | - | expression tag |
| His 266 | - | expression tag |
| His 267 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 60480.4 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 2201.6 | |
| All* | Total formula weight | 62682.0 |
