Research workbench
Novel epoxide hydrolases belonging to the ALPHA/BETA hydrolases superfamily in metagenomes from hot environments
Analyse Novel epoxide hydrolases belonging to the ALPHA/BETA hydrolases superfamily in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5NFQ
- Type
- protein
- Length
- 298 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epoxide hydrolase belonging to ALPHA/BETA hydrolase superfamily metagenomic from tomsk…
- EC
- 3.3.2.10
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epoxide hydrolase belonging to ALPHA/BETA hydrolase superfamily metagenomic from tomsk sample (EC 3.3.2.10) | protein | 298 | 42% helix, 17% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 9 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.70 | 0.83 | 37 | EDO, PGE |
| 2 | 52 | 0.33 | 0.77 | 11 | empty |
Compared structures
- 5NFQ · Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in… · 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
- Elsewhere: RCSB PDB 5NFQ · PDBe 5NFQ
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