MolNFT v1 · #128092 · protein
Novel epoxide hydrolases belonging to the ALPHA/BETA hydrolases superfamily in metagenomes from hot environments
5NG7: “Novel epoxide hydrolases belonging to the ALPHA/BETA hydrolases superfamily in metagenomes from hot…”. X-ray diffraction, 2 ligands (SER, CL), 5 pockets (best druggability 0.69). MolNFT v1 #128092 on GenesisL1: 3D structure, binding…
- PDB
- 5NG7
- Type
- protein
- Length
- 582 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epoxide hydrolase
- EC
- 3.3.2.10
- Ligands
- SER, CL
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epoxide hydrolase (EC 3.3.2.10) | protein | 292 | 45% helix, 18% strand | — |
| B | Epoxide hydrolase (EC 3.3.2.10) | protein | 290 | 46% helix, 18% strand | — |
Ligands and binding sites
- SER · Serine · ligand · chains B
- CL · Chloride ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.69 | 0.97 | 17 | empty |
| 2 | 157 | 0.66 | 0.86 | 36 | SER |
| 3 | 135 | 0.64 | 0.87 | 30 | empty |
| 4 | 148 | 0.64 | 0.86 | 28 | PEG |
| 5 | 158 | 0.54 | 0.80 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1135 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5NG7 · Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in… · the same entry in another collection · chain B against B, 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 5NG7 · PDBe 5NG7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.