MolNFT v1 · #85713 · protein
Patg macrocyclase domain
4AKS · Thiazoline OXIDASE/SUBTILISIN-like protease: “Patg macrocyclase domain”. X-ray diffraction, 4 pockets (best druggability 0.54). MolNFT v1 #85713 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4AKS
- Type
- protein
- Length
- 620 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thiazoline OXIDASE/SUBTILISIN-like protease
- UniProt
- Q52QJ1
- Pockets
- 4 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thiazoline OXIDASE/SUBTILISIN-like protease | protein | 295 | 41% helix, 15% strand | Q52QJ1 |
| B | Thiazoline OXIDASE/SUBTILISIN-like protease | protein | 325 | 38% helix, 15% strand | Q52QJ1 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 298 | 0.54 | 0.75 | 34 | empty |
| 2 | 203 | 0.46 | 0.74 | 30 | empty |
| 3 | 77 | 0.35 | 0.76 | 24 | empty |
| 4 | 61 | 0.33 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 43 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4AKS · PatG macrocyclase domain · 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 Q52QJ1
- Elsewhere: RCSB PDB 4AKS · PDBe 4AKS · UniProt Q52QJ1
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