Research workbench
Structure of 4-hydroxyphenylacetate 3-monooxygenase (hpab), oxygenase component from escherichia COLI mutant XS6 (apo enzyme)
Analyse Structure of 4-hydroxyphenylacetate 3-monooxygenase (hpab), oxygenase component… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6B1B
- Type
- protein
- Length
- 1,019 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit
- UniProt
- A0A140NG21
- Ligands
- TMO
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit | protein | 510 | 55% helix, 14% strand | A0A140NG21 |
| B | 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit | protein | 509 | 55% helix, 14% strand | A0A140NG21 |
Ligands and binding sites
- TMO · trimethylamine oxide · ligand · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 641 | 0.71 | 0.78 | 81 | empty |
| 2 | 526 | 0.67 | 0.78 | 60 | empty |
| 3 | 189 | 0.50 | 0.77 | 29 | empty |
| 4 | 99 | 0.44 | 0.78 | 19 | empty |
| 5 | 79 | 0.41 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 4846 Ų buried · 54 hydrogen bonds · protein-protein
Compared structures
- 6B1B · STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM… · 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 A0A140NG21
- Elsewhere: RCSB PDB 6B1B · PDBe 6B1B · UniProt A0A140NG21
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