Research workbench
Chorismate lyase with inhibitor vanilate
Analyse Chorismate lyase with inhibitor vanilate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AHC
- Type
- protein
- Length
- 656 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate lyase
- EC
- 4.1.3.40
- UniProt
- P26602
- Ligands
- VNL
- Pockets
- 10 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Chorismate lyase (EC 4.1.3.40) | protein | 164 | 21% helix, 39% strand | P26602 |
Ligands and binding sites
- VNL · 4-hydroxy-3-methoxybenzoate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 142 | 0.80 | 0.97 | 33 | VNL |
| 2 | 212 | 0.77 | 0.91 | 36 | VNL |
| 3 | 72 | 0.75 | 0.98 | 17 | VNL |
| 4 | 82 | 0.73 | 0.96 | 17 | VNL |
| 5 | 64 | 0.67 | 0.95 | 19 | empty |
Interfaces
4 interfaces between chains.
- B–D · 680 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 502 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 376 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 217 Ų buried · 2 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 P26602
- Elsewhere: RCSB PDB 2AHC · PDBe 2AHC · UniProt P26602
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