6Q7R
Crystal structure of OE1.3 alkylated with the mechanistic inhibitor 2-bromoacetophenone
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | OE1.3 | polymer | 242 | 27607.5 | 1 | UniProt (O58216) | Pyrococcus horikoshii | |
| 2 | B (A) | 1-PHENYLETHANONE | non-polymer | 120.1 | 1 | Chemie (AC0) PubChem (7410) | |||
| 3 | C (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) PubChem (175) | |||
| 4 | D (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) PubChem (8117) | |||
| 5 | E (A) | water | water | 18.0 | 272 | Chemie (HOH) |
Sequence modifications
A: 1 - 232 (UniProt: O58216)
| PDB | External Database | Details |
|---|---|---|
| Ser 9 | Phe 9 | conflict |
| Pro 10 | Val 10 | conflict |
| Asn 14 | Leu 14 | conflict |
| His 19 | Glu 19 | conflict |
| Met 22 | Thr 22 | conflict |
| Asn 46 | Glu 46 | conflict |
| Gly 63 | Pro 63 | conflict |
| Leu 64 | Ile 64 | conflict |
| Leu 68 | Glu 68 | conflict |
| Ser 91 | His 91 | conflict |
| Ser 95 | His 95 | conflict |
| Gly 125 | Asp 125 | conflict |
| Gln 128 | Tyr 128 | conflict |
| Ala 129 | Leu 129 | conflict |
| Phe 132 | His 132 | conflict |
| Ala 186 | Cys 186 | conflict |
| Ala 212 | Cys 212 | conflict |
| Gly 233 | - | expression tag |
| Ser 234 | - | expression tag |
| Leu 235 | - | expression tag |
| Glu 236 | - | expression tag |
| His 237 | - | expression tag |
| His 238 | - | expression tag |
| His 239 | - | expression tag |
| His 240 | - | expression tag |
| His 241 | - | expression tag |
| His 242 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 27607.5 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 285.3 | |
| All* | Total formula weight | 27892.9 |
