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Crystal structure of 3-hydroxybenzoate hydroxylase from comamonas testosteroni, in complex with the substrate
Analyse Crystal structure of 3-hydroxybenzoate hydroxylase from comamonas testosteroni… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2DKH
- Type
- protein
- Length
- 614 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxybenzoate hydroxylase
- EC
- 1.14.13.23
- UniProt
- Q05KQ5
- Ligands
- FAD, 3HB, SO4
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxybenzoate hydroxylase (EC 1.14.13.23) | protein | 614 | 27% helix, 25% strand | Q05KQ5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- 3HB · 3-hydroxybenzoic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1154 | 0.81 | 0.82 | 101 | FAD, 3HB |
| 2 | 997 | 0.76 | 0.79 | 73 | SO4 |
| 3 | 93 | 0.56 | 0.86 | 20 | empty |
| 4 | 84 | 0.35 | 0.75 | 13 | empty |
| 5 | 63 | 0.29 | 0.74 | 17 | empty |
Compared structures
- 2DKH · Crystal structure of 3-hydroxybenzoate hydroxylase from Comamonas testosteroni, in… · 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 Q05KQ5
- Elsewhere: RCSB PDB 2DKH · PDBe 2DKH · UniProt Q05KQ5
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