Research workbench
Chloroperoxidase T/BENZOATE complex
Analyse Chloroperoxidase T/BENZOATE complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1A8U
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chloroperoxidase T
- EC
- 1.11.1.10
- UniProt
- O31168
- Ligands
- BEZ, SO4
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chloroperoxidase T (EC 1.11.1.10) | protein | 277 | 44% helix, 20% strand | O31168 |
Ligands and binding sites
- BEZ · Benzoic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.58 | 0.90 | 21 | empty |
| 2 | 65 | 0.58 | 0.89 | 19 | SO4 |
| 3 | 111 | 0.56 | 0.83 | 21 | BEZ |
| 4 | 87 | 0.50 | 0.82 | 22 | BEZ |
| 5 | 287 | 0.48 | 0.72 | 34 | SO4 |
Interfaces
1 interface between chains.
- A–B · 78 Ų buried · 1 hydrogen bond · 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 O31168
- Elsewhere: RCSB PDB 1A8U · PDBe 1A8U · UniProt O31168
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.