MolNFT v1 · #182552 · protein
Crystal structure of 2-octaprenyl-6-methoxyphenol hydroxylase ubih from acinetobacter baumannii, apoenzyme
7MWA · 2-polyprenyl-6-methoxyphenol 4-hydroxylase: “Crystal structure of 2-octaprenyl-6-methoxyphenol hydroxylase ubih from acinetobacter baumannii, apoenzyme”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.72). MolNFT…
- PDB
- 7MWA
- Type
- protein
- Length
- 764 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-polyprenyl-6-methoxyphenol 4-hydroxylase
- UniProt
- D0CDW7
- Ligands
- CL
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-polyprenyl-6-methoxyphenol 4-hydroxylase | protein | 383 | 32% helix, 31% strand | D0CDW7 |
| B | 2-polyprenyl-6-methoxyphenol 4-hydroxylase | protein | 381 | 33% helix, 34% strand | D0CDW7 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- CIT · Citric acid · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 568 | 0.72 | 0.80 | 59 | CL |
| 2 | 570 | 0.71 | 0.79 | 59 | empty |
| 3 | 343 | 0.57 | 0.76 | 44 | CIT |
| 4 | 306 | 0.55 | 0.75 | 46 | EDO, CIT |
| 5 | 55 | 0.30 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 511 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7MWA · Crystal structure of 2-octaprenyl-6-methoxyphenol hydroxylase UbiH from Acinetobacter… · 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 D0CDW7
- Elsewhere: RCSB PDB 7MWA · PDBe 7MWA · UniProt D0CDW7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.