MolNFT v1 · #58601 · protein
Crystal structure of a putative aromatic ring hydroxylase (SARO_3538) from novosphingobium aromaticivorans dsm at 1.75 a resolution
3B8L · Uncharacterized protein: “Crystal structure of a putative aromatic ring hydroxylase (SARO_3538) from novosphingobium aromaticivorans…”. X-ray diffraction, 1 ligand (CL), 14 pockets (best druggability 0.82). MolNFT v1 #58601 on…
- PDB
- 3B8L
- Type
- protein
- Length
- 866 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A4XEN7
- Ligands
- CL
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 147 | 31% helix, 46% strand | A4XEN7 |
| B, C, D, E | Uncharacterized protein | protein | 144 | 31% helix, 47% strand | A4XEN7 |
| F | Uncharacterized protein | protein | 143 | 31% helix, 47% strand | A4XEN7 |
Ligands and binding sites
- CL · Chloride ion · ion · chains D, E, F
- GOL · Glycerol · additive · 11 copies · chains A, B, C, D, E, F
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 134 | 0.82 | 0.98 | 25 | GOL |
| 2 | 130 | 0.81 | 0.98 | 25 | GOL |
| 3 | 131 | 0.81 | 0.98 | 26 | GOL |
| 4 | 140 | 0.81 | 0.98 | 29 | GOL |
| 5 | 134 | 0.81 | 0.98 | 30 | GOL |
Interfaces
12 interfaces between chains.
- D–F · 747 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 740 Ų buried · 8 hydrogen bonds · protein-protein
- D–E · 732 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 732 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 727 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 41 modified (engineered).
Compared structures
- 3B8L · Crystal structure of a putative aromatic ring hydroxylase (SARO_3538) 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 A4XEN7
- Elsewhere: RCSB PDB 3B8L · PDBe 3B8L · UniProt A4XEN7
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