Research workbench
Phosphotriesterase PTE_A53_7
Analyse Phosphotriesterase PTE_A53_7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FRZ
- Type
- protein
- Length
- 666 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Parathion hydrolase
- EC
- 3.1.8.1
- UniProt
- P0A434
- Ligands
- E4T, ZN
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Parathion hydrolase (EC 3.1.8.1) | protein | 327 | 52% helix, 14% strand | P0A434 |
| B | Parathion hydrolase (EC 3.1.8.1) | protein | 339 | 51% helix, 14% strand | P0A434 |
Ligands and binding sites
- E4T · 5-methylcyclohexane-1,1,3,3-tetrol · ligand · chains A
- ZN · Zinc ion · metal · 4 copies · chains A, B
- FMT · Formic acid · additive · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- P6G · Hexaethylene glycol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 293 | 0.64 | 0.81 | 37 | FMT, ZN, E4T, TRS |
| 2 | 323 | 0.64 | 0.80 | 37 | FMT, ZN |
| 3 | 175 | 0.63 | 0.84 | 32 | empty |
| 4 | 62 | 0.32 | 0.76 | 14 | empty |
| 5 | 60 | 0.31 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1356 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (additive adduct).
Compared structures
- 6FRZ · Phosphotriesterase PTE_A53_7 · 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
- Every structure of UniProt P0A434
- Elsewhere: RCSB PDB 6FRZ · PDBe 6FRZ · UniProt P0A434
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.