MolNFT v1 · #130331 · protein
Humanized comt in complex with 8-hydroxy-6-[2-(METHOXYMETHYL)PHENYL]- 3H-quinazolin-4-one
5PA3: “Humanized comt in complex with 8-hydroxy-6-[2-(METHOXYMETHYL)PHENYL]- 3H-quinazolin-4-one”. X-ray diffraction, 5 ligands (7JV, D1D, K). MolNFT v1 #130331 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5PA3
- Type
- protein
- Length
- 214 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P22734
- Ligands
- 7JV, D1D, K, MG, CL
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 214 | — | P22734 |
Ligands and binding sites
- 7JV · 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one · ligand · chains A
- D1D · (4S,5S)-1,2-dithiane-4,5-diol · ligand · chains A
- K · Potassium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5PA3 · humanized COMT in complex with 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one · the same entry in another collection · chain A against A, TM-score 1.00
- P22734 · AlphaFold monomer V2.0 prediction for catechol O-methyltransferase (P22734) · 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 P22734
- Elsewhere: RCSB PDB 5PA3 · PDBe 5PA3 · UniProt P22734
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