MolNFT v1 · #103996 · protein
Crystal structure of typeii restriction enzyme SAU3AI
4PXG · Type-2 restriction enzyme SAU3AI: “Crystal structure of typeii restriction enzyme SAU3AI”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.80). MolNFT v1 #103996 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4PXG
- Type
- protein
- Length
- 931 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type-2 restriction enzyme SAU3AI
- EC
- 3.1.21.4
- UniProt
- P16667
- Ligands
- CA
- Pockets
- 11 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type-2 restriction enzyme SAU3AI (EC 3.1.21.4) | protein | 466 | 35% helix, 25% strand | P16667 |
| B | Type-2 restriction enzyme SAU3AI (EC 3.1.21.4) | protein | 465 | 35% helix, 26% strand | P16667 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 972 | 0.80 | 0.81 | 80 | empty |
| 2 | 1189 | 0.78 | 0.80 | 86 | empty |
| 3 | 244 | 0.59 | 0.79 | 33 | empty |
| 4 | 102 | 0.57 | 0.85 | 23 | empty |
| 5 | 106 | 0.56 | 0.84 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 685 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
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 P16667
- Elsewhere: RCSB PDB 4PXG · PDBe 4PXG · UniProt P16667
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