Research workbench
Chorismatase mechanisms reveal fundamentally different types of reaction in a single conserved protein fold
Analyse Chorismatase mechanisms reveal fundamentally different types of reaction in a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5A3K
- Type
- protein
- Length
- 1,000 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative pteridine-dependent dioxygenase
- UniProt
- O30478
- Ligands
- 3HB, SO4
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 22% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative pteridine-dependent dioxygenase | protein | 335 | 21% helix, 36% strand | O30478 |
| B | Putative pteridine-dependent dioxygenase | protein | 333 | 22% helix, 35% strand | O30478 |
| C | Putative pteridine-dependent dioxygenase | protein | 332 | 23% helix, 34% strand | O30478 |
Ligands and binding sites
- 3HB · 3-hydroxybenzoic acid · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.74 | 0.93 | 32 | 3HB |
| 2 | 1075 | 0.72 | 0.76 | 68 | SO4 |
| 3 | 157 | 0.72 | 0.90 | 38 | 3HB |
| 4 | 133 | 0.70 | 0.90 | 29 | 3HB |
| 5 | 52 | 0.44 | 0.84 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 203 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 72 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5A3K · Chorismatase mechanisms reveal fundamentally different types of reaction in a single… · the same entry in another collection · chain A against A, TM-score 1.00
- O30478 · AlphaFold monomer V2.0 prediction for 3-hydroxybenzoate synthase (O30478) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O30478
- Elsewhere: RCSB PDB 5A3K · PDBe 5A3K · UniProt O30478
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.