MolNFT v1 · #162788 · protein
Structure of the alpha-beta hydrolase cors from tabernathe iboga
6RJ8: “Structure of the alpha-beta hydrolase cors from tabernathe iboga”. X-ray diffraction, 3 pockets (best druggability 0.63). MolNFT v1 #162788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RJ8
- Type
- protein
- Length
- 316 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-beta hydrolase cors
- EC
- 4.2.1.105
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-beta hydrolase cors (EC 4.2.1.105) | protein | 316 | 35% helix, 22% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 206 | 0.63 | 0.82 | 26 | PG4, EDO |
| 2 | 66 | 0.33 | 0.75 | 14 | empty |
| 3 | 55 | 0.28 | 0.74 | 21 | empty |
Compared structures
- 6RJ8 · Structure of the alpha-beta hydrolase CorS from Tabernathe iboga · 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 6RJ8 · PDBe 6RJ8
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