Research workbench
Crystal structure of catechol O-methyl transferase (comt) from niastella koreensis
Analyse Crystal structure of catechol O-methyl transferase (comt) from niastella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CVU
- Type
- protein
- Length
- 876 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-methyltransferase family 3
- UniProt
- G8T6H8
- Pockets
- 10 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | O-methyltransferase family 3 | protein | 219 | 44% helix, 22% strand | G8T6H8 |
| B | O-methyltransferase family 3 | protein | 217 | 45% helix, 19% strand | G8T6H8 |
| C, D | O-methyltransferase family 3 | protein | 220 | 45% helix, 20% strand | G8T6H8 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 760 | 0.68 | 0.75 | 94 | empty |
| 2 | 169 | 0.59 | 0.82 | 33 | empty |
| 3 | 253 | 0.59 | 0.79 | 41 | empty |
| 4 | 179 | 0.57 | 0.81 | 37 | empty |
| 5 | 102 | 0.40 | 0.77 | 21 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1884 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1871 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 326 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7CVU · Crystal structure of Catechol o-methyl transferase (COMT) from Niastella koreensis · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt G8T6H8
- Elsewhere: RCSB PDB 7CVU · PDBe 7CVU · UniProt G8T6H8
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