MolNFT v1 · #59391 · protein
Crystal structure of human catechol O-methyltransferase with bound SAM and dnc
3BWM: “Crystal structure of human catechol O-methyltransferase with bound SAM and dnc”. X-ray diffraction, 4 ligands (SAM, DNC, MG), 1 pocket (best druggability 0.60). MolNFT v1 #59391 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3BWM
- Type
- protein
- Length
- 214 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catechol O-methyltransferase
- EC
- 2.1.1.6
- UniProt
- P21964
- Ligands
- SAM, DNC, MG, K
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catechol O-methyltransferase (EC 2.1.1.6) | protein | 214 | 49% helix, 20% strand | P21964 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · chains A
- DNC · 3,5-dinitrocatechol · ligand · chains A
- MG · Magnesium ion · metal · chains A
- K · Potassium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.60 | 0.84 | 33 | SAM, DNC |
Compared structures
- 3BWM · Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC · the same entry in another collection · chain A against A, TM-score 1.00
- P21964 · AlphaFold monomer V2.0 prediction for catechol O-methyltransferase (P21964) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P21964
- Elsewhere: RCSB PDB 3BWM · PDBe 3BWM · UniProt P21964
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