6I3D
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Catechol O-methyltransferase | polymer | 232 | 25970.6 | 2 | UniProt (P21964) Pfam (PF01596) | Homo sapiens (Human) | |
| 2 | C, F (A, B) | 3,5-DINITROCATECHOL | non-polymer | 200.1 | 2 | Chemie (DNC) PubChem (3870203) | |||
| 3 | D, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) PubChem (888) | |||
| 4 | E, H (A, B) | SINEFUNGIN | non-polymer | 381.4 | 2 | Chemie (SFG) PubChem (456189) PubChem (4065234) PubChem (6917665) PubChem (12771337) PubChem (25246236) PubChem (176612030) PubChem (177116271) PubChem (46875078) PubChem (46936257) PubChem (65482) PubChem (70789212) PubChem (93287274) PubChem (12771338) PubChem (70602121) PubChem (92403972) PubChem (93287270) PubChem (93287272) PubChem (93475589) PubChem (131971033) PubChem (131972810) PubChem (138626357) PubChem (156562738) PubChem (162866891) PubChem (163339130) PubChem (168280605) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 421 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 221 (UniProt: P21964)
| PDB | External Database | Details |
|---|---|---|
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| Glu -4 | - | expression tag |
| Asn -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Tyr -1 | - | expression tag |
| Phe 0 | - | expression tag |
| Gln 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51941.2 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1211.6 | |
| All* | Total formula weight | 53152.8 |
