MolNFT v1 · #62428 · protein
Crystal structure of putative scytalone dehydratase (YP_496742.1) from novosphingobium aromaticivorans dsm 12444 at 1.50 a resolution
3EF8 · Putative scyalone dehydratase: “Crystal structure of putative scytalone dehydratase (YP_496742.1) from novosphingobium aromaticivorans dsm…”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.77). MolNFT v1 #62428 on…
- PDB
- 3EF8
- Type
- protein
- Length
- 298 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative scyalone dehydratase
- UniProt
- Q2G8B5
- Ligands
- MG
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative scyalone dehydratase | protein | 149 | 26% helix, 50% strand | Q2G8B5 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
- PGE · Triethylene glycol · additive · 4 copies · chains A
- PG4 · Tetraethylene glycol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.77 | 0.84 | 56 | empty |
| 2 | 250 | 0.71 | 0.86 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 232 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3EF8 · Crystal structure of Putative Scytalone Dehydratase (YP_496742.1) from NOVOSPHINGOBIUM… · 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 Q2G8B5
- Elsewhere: RCSB PDB 3EF8 · PDBe 3EF8 · UniProt Q2G8B5
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