5P8X
humanized rat catechol O-methyltransferase in complex with N-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.31A
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Catechol O-methyltransferase | polymer | 221 | 24694.3 | 1 | UniProt (P22734) Pfam (PF01596) In PDB | Rattus norvegicus (Rat) | |
2 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
3 | A | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
4 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
5 | A | N-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide | non-polymer | 458.4 | 1 | Chemie (75Z) | |||
6 | A | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID | non-polymer | 207.3 | 1 | Chemie (NHE) | |||
7 | A | (4S,5S)-1,2-DITHIANE-4,5-DIOL | non-polymer | 152.2 | 1 | Chemie (D1D) | |||
8 | water | water | 18.0 | 214 | Chemie (HOH) |
Sequence modifications
A: 1 - 221 (UniProt: P22734)
PDB | External Database | Details |
---|---|---|
Ile 91 | Met 134 | engineered mutation |
Cys 95 | Tyr 138 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 24694.3 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 1009.2 | |
All* | Total formula weight | 25703.6 |