MolNFT v1 · #80114 · protein
Crystal structure of gkap mutant Y99L from geobacillus kaustophilus HTA426
3TN5 · Phosphotriesterase: “Crystal structure of gkap mutant Y99L from geobacillus kaustophilus HTA426”. X-ray diffraction, 2 ligands (CO, PO4), 5 pockets (best druggability 0.73). MolNFT v1 #80114 on GenesisL1: 3D structure, binding sites…
- PDB
- 3TN5
- Type
- protein
- Length
- 648 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphotriesterase
- EC
- 3.5.-.-
- UniProt
- Q5KZU5
- Ligands
- CO, PO4
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphotriesterase (EC 3.5.-.-) | protein | 324 | 46% helix, 15% strand | Q5KZU5 |
Ligands and binding sites
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 | 653 | 0.73 | 0.80 | 60 | PO4 |
| 2 | 633 | 0.73 | 0.79 | 67 | CO |
| 3 | 540 | 0.63 | 0.75 | 43 | empty |
| 4 | 101 | 0.43 | 0.78 | 18 | empty |
| 5 | 74 | 0.41 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1661 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (carboxylation).
Compared structures
- 3TN5 · Crystal structure of GkaP mutant Y99L from Geobacillus kaustophilus HTA426 · 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 Q5KZU5
- Elsewhere: RCSB PDB 3TN5 · PDBe 3TN5 · UniProt Q5KZU5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.