UniProt P21964
Catechol O-methyltransferase (P21964)
Catechol O-methyltransferase (UniProt P21964), EC 2.1.1.6: 22 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 1 pocket. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P21964
- Protein
- Catechol O-methyltransferase
- EC
- 2.1.1.6
- Experimental structures
- 22
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 1 · 1 record with a druggable one
Structures
23 records of P21964 in the MolNFT archive: 22 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3A7E | Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol | x-ray diffraction | A | — | — |
| 3A7E | Crystal structure of human comt complexed with SAM and 3,5- dinitrocatechol | x-ray diffraction | A | — | — |
| 3BWM | Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC | x-ray diffraction | A | — | — |
| 3BWM | Crystal structure of human catechol O-methyltransferase with bound SAM and dnc | x-ray diffraction | A | — | — |
| 4PYI | human apo COMT | x-ray diffraction | A | — | — |
| 4PYI | Human apo comt | x-ray diffraction | A | — | — |
| 4PYJ | human apo-COMT, single domain swap | x-ray diffraction | A | — | — |
| 4PYJ | Human apo-comt, single domain swap | x-ray diffraction | A | — | — |
| 4PYK | human COMT, double domain swap | x-ray diffraction | A | — | — |
| 4PYK | Human comt, double domain swap | x-ray diffraction | A | — | — |
| 4XUC | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of… | x-ray diffraction | A | — | — |
| 4XUC | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of… | x-ray diffraction | A | — | — |
| 4XUD | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of… | x-ray diffraction | A | — | — |
| 4XUD | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of… | x-ray diffraction | A | — | — |
| 4XUE | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of… | x-ray diffraction | B, A | — | — |
| 4XUE | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of… | x-ray diffraction | B, A | — | — |
| 5LSA | human catechol O-methyltransferase in complex with SAM and DNC at 1.50A | x-ray diffraction | A | MG, CL, SAM, DNC | 1 (best 0.59) |
| 5LSA | Human catechol O-methyltransferase in complex with SAM and dnc at 1.50A | x-ray diffraction | A | MG, CL, DNC | — |
| 6I3C | Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol… | x-ray diffraction | A | MG, DNC | — |
| 6I3C | Crystal structure of human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol… | x-ray diffraction | A | MG, DNC | — |
| 6I3D | Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol… | x-ray diffraction | A, B | DNC, MG | — |
| 6I3D | Crystal structure of human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol… | x-ray diffraction | A, B | DNC, MG | — |
| P21964 | AlphaFold monomer V2.0 prediction for catechol O-methyltransferase (P21964) | predicted | A | — | — |
Ligands
Experiment against prediction
- 5LSA chain A against the predicted model P21964: TM-score 0.99, RMSD 0.65 Å
- 3BWM chain A against the predicted model P21964: TM-score 0.99, RMSD 0.40 Å
- 3BWM chain A against the predicted model P21964: TM-score 0.99, RMSD 0.40 Å
- 6I3D chain A against the predicted model P21964: TM-score 0.99, RMSD 0.48 Å
- 6I3D chain A against the predicted model P21964: TM-score 0.99, RMSD 0.48 Å
- 4XUE chain A against the predicted model P21964: TM-score 0.99, RMSD 0.57 Å
- 4XUE chain A against the predicted model P21964: TM-score 0.99, RMSD 0.57 Å
- 6I3C chain A against the predicted model P21964: TM-score 0.99, RMSD 0.58 Å
- 6I3C chain A against the predicted model P21964: TM-score 0.99, RMSD 0.58 Å
- 3A7E chain A against the predicted model P21964: TM-score 0.99, RMSD 0.51 Å
Elsewhere
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