MolNFT v1 · #147374 · protein
Structure of 4-hydroxyphenylacetate 3-monooxygenase (hpab), oxygenase component from escherichia COLI
6EB0 · 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit: “Structure of 4-hydroxyphenylacetate 3-monooxygenase (hpab), oxygenase component from escherichia COLI”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 6EB0
- Type
- protein
- Length
- 2,072 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit
- UniProt
- A0A140NG21
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit | protein | 518 | 54% helix, 14% strand | A0A140NG21 |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.85 | 0.86 | 88 | ACT |
| 2 | 92 | 0.78 | 0.99 | 24 | empty |
| 3 | 83 | 0.76 | 0.98 | 21 | empty |
| 4 | 373 | 0.74 | 0.85 | 48 | empty |
| 5 | 489 | 0.74 | 0.82 | 54 | empty |
Interfaces
6 interfaces between chains.
- B–C · 4714 Ų buried · 63 hydrogen bonds · protein-protein
- A–D · 4714 Ų buried · 61 hydrogen bonds · protein-protein
- B–D · 3634 Ų buried · 48 hydrogen bonds · protein-protein
- A–C · 3609 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 499 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6EB0 · 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 6EB0 · PDBe 6EB0 · UniProt A0A140NG21
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