Research workbench
Structure of the monooxygenase component of P- hydroxyphenylacetate hydroxylase from acinetobacter baumanni
Analyse Structure of the monooxygenase component of P- hydroxyphenylacetate hydroxylase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2JBR
- Type
- protein
- Length
- 1,595 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P-hydroxyphenylacetate hydroxylase C2 oxygenase component
- UniProt
- Q6Q272
- Pockets
- 18 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | P-hydroxyphenylacetate hydroxylase C2 oxygenase component | protein | 399 | 52% helix, 15% strand | Q6Q272 |
| B | P-hydroxyphenylacetate hydroxylase C2 oxygenase component | protein | 398 | 52% helix, 15% strand | Q6Q272 |
Pockets
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1027 | 0.87 | 0.87 | 109 | empty |
| 2 | 452 | 0.76 | 0.85 | 65 | empty |
| 3 | 435 | 0.75 | 0.84 | 62 | empty |
| 4 | 438 | 0.75 | 0.84 | 65 | empty |
| 5 | 396 | 0.74 | 0.84 | 55 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2375 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 2254 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 2159 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 2156 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 114 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2JBR · Structure of the monooxygenase component of p-hydroxyphenylacetate hydroxylase from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6Q272 · AlphaFold monomer V2.0 prediction for P-hydroxyphenylacetate 3-hydroxylase, oxygenase… · a predicted model of the same protein · chain B 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 Q6Q272
- Elsewhere: RCSB PDB 2JBR · PDBe 2JBR · UniProt Q6Q272
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