MolNFT v1 · #161509 · protein
Crystal structure of APT1 S119A mutant bound to palmitic acid.
6QGO · Acyl-protein thioesterase 1: “Crystal structure of APT1 S119A mutant bound to palmitic acid.”. X-ray diffraction, 1 ligand (PLM), 2 pockets (best druggability 0.81). MolNFT v1 #161509 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6QGO
- Type
- protein
- Length
- 444 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-protein thioesterase 1
- EC
- 3.1.2.-
- UniProt
- O75608
- Ligands
- PLM
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Acyl-protein thioesterase 1 (EC 3.1.2.-) | protein | 221 | 36% helix, 20% strand | O75608 |
| C | Acyl-protein thioesterase 1 (EC 3.1.2.-) | protein | 223 | 36% helix, 21% strand | O75608 |
Ligands and binding sites
- PLM · Palmitic acid · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 699 | 0.81 | 0.85 | 85 | PLM |
| 2 | 89 | 0.39 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- B–C · 854 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6QGO · Crystal structure of APT1 S119A mutant bound to palmitic acid. · the same entry in another collection · chain B against B, TM-score 1.00
- O75608 · AlphaFold monomer V2.0 prediction for acyl-protein thioesterase 1 (O75608) · a predicted model of the same protein · chain B 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 O75608
- Elsewhere: RCSB PDB 6QGO · PDBe 6QGO · UniProt O75608
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