Research workbench
P-hydroxybenzoate hydroxylase Y385F mutant complexed with 3,4- dihydroxybenzoate
Analyse P-hydroxybenzoate hydroxylase Y385F mutant complexed with 3,4- dihydroxybenzoate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JU1
- Type
- protein
- Length
- 393 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-hydroxybenzoate 3-monooxygenase
- EC
- 1.14.13.2
- UniProt
- A0A367MFY2
- Ligands
- FAD, DHB, BR
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-hydroxybenzoate 3-monooxygenase (EC 1.14.13.2) | protein | 393 | 40% helix, 28% strand | A0A367MFY2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- DHB · 3,4-dihydroxybenzoic acid · ligand · chains A
- BR · Bromide ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 589 | 0.76 | 0.83 | 64 | FAD, DHB, BR |
| 2 | 125 | 0.49 | 0.80 | 30 | empty |
| 3 | 94 | 0.41 | 0.78 | 18 | P33 |
Compared structures
- 6JU1 · p-Hydroxybenzoate hydroxylase Y385F mutant complexed with 3,4-dihydroxybenzoate · 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 A0A367MFY2
- Elsewhere: RCSB PDB 6JU1 · PDBe 6JU1 · UniProt A0A367MFY2
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