Research workbench
Enzyme of biosynthetic pathway
Analyse Enzyme of biosynthetic pathway in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AN6
- Type
- protein
- Length
- 570 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate dehydratase
- EC
- 4.2.1.151
- UniProt
- Q9L0T8
- Ligands
- ISJ
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chorismate dehydratase (EC 4.2.1.151) | protein | 286 | 51% helix, 21% strand | Q9L0T8 |
| B | Chorismate dehydratase (EC 4.2.1.151) | protein | 284 | 51% helix, 21% strand | Q9L0T8 |
Ligands and binding sites
- ISJ · (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1, 5-diene-1-carboxylic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.80 | 0.99 | 22 | ISJ |
| 2 | 95 | 0.78 | 0.98 | 22 | ISJ |
| 3 | 310 | 0.58 | 0.77 | 40 | empty |
| 4 | 273 | 0.56 | 0.77 | 37 | empty |
| 5 | 66 | 0.39 | 0.79 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1263 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
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 Q9L0T8
- Elsewhere: RCSB PDB 7AN6 · PDBe 7AN6 · UniProt Q9L0T8
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