3BWY
Crystal Structure of Human 108M Catechol O-methyltransferase bound with S-adenosylmethionine and inhibitor dinitrocatechol
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | COMT protein | polymer | 214 | 23880.5 | 1 | UniProt (Q6ICE6) Pfam (PF01596) UniProt (by SIFTS) (P21964) | Homo sapiens (human) | (Catechol-O-methyltransferase, isoform CRA_a |
| 2 | B (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 3 | C (A) | S-ADENOSYLMETHIONINE | non-polymer | 398.4 | 1 | Chemie (SAM) PubChem (5136) PubChem (34755) PubChem (9865603) PubChem (12312798) PubChem (58766358) PubChem (87224684) PubChem (131697735) PubChem (145712080) PubChem (58633578) PubChem (60038769) PubChem (73897310) PubChem (132988922) PubChem (134692588) PubChem (135030730) PubChem (140459785) PubChem (163046094) | |||
| 4 | D (A) | 3,5-DINITROCATECHOL | non-polymer | 200.1 | 1 | Chemie (DNC) PubChem (3870203) | |||
| 5 | E, F, G (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 3 | Chemie (MPD) | |||
| 6 | H (A) | water | water | 18.0 | 155 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 23880.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 977.4 | |
| All* | Total formula weight | 24857.8 |
