MolNFT v1 · #175601 · protein
Crystal structure of catechol O-methyl transferase (comt) from niastella koreensis
7CVW · O-methyltransferase family 3: “Crystal structure of catechol O-methyl transferase (comt) from niastella koreensis”. X-ray diffraction, 2 ligands (SAH, MG), 6 pockets (best druggability 0.49). MolNFT v1 #175601 on GenesisL1: 3D…
- PDB
- 7CVW
- Type
- protein
- Length
- 438 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-methyltransferase family 3
- UniProt
- G8T6H8
- Ligands
- SAH, MG
- Pockets
- 6 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | O-methyltransferase family 3 | protein | 219 | 47% helix, 22% strand | G8T6H8 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.49 | 0.79 | 28 | SAH |
| 2 | 132 | 0.49 | 0.79 | 26 | SAH |
| 3 | 96 | 0.35 | 0.74 | 24 | empty |
| 4 | 62 | 0.28 | 0.73 | 16 | empty |
| 5 | 65 | 0.28 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1862 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7CVW · 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 7CVW · PDBe 7CVW · UniProt G8T6H8
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