MolNFT v1 · #70314 · protein
H198P mutant of the degs-deltapdz protease
3LGV · Protease degs: “H198P mutant of the degs-deltapdz protease”. X-ray diffraction, 18 pockets (best druggability 0.70). MolNFT v1 #70314 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3LGV
- Type
- protein
- Length
- 1,810 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protease degs
- EC
- 3.4.21.-
- UniProt
- P0AEE3
- Pockets
- 18 · best druggability 0.70
Structure
x-ray diffraction · 9 distinct chains · 15% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protease degs (EC 3.4.21.-) | protein | 204 | 15% helix, 39% strand | P0AEE3 |
| B | Protease degs (EC 3.4.21.-) | protein | 206 | 16% helix, 40% strand | P0AEE3 |
| C | Protease degs (EC 3.4.21.-) | protein | 205 | 15% helix, 39% strand | P0AEE3 |
| D | Protease degs (EC 3.4.21.-) | protein | 203 | 15% helix, 43% strand | P0AEE3 |
| E | Protease degs (EC 3.4.21.-) | protein | 195 | 15% helix, 43% strand | P0AEE3 |
| F | Protease degs (EC 3.4.21.-) | protein | 207 | 14% helix, 40% strand | P0AEE3 |
| G | Protease degs (EC 3.4.21.-) | protein | 200 | 15% helix, 33% strand | P0AEE3 |
| H | Protease degs (EC 3.4.21.-) | protein | 197 | 16% helix, 34% strand | P0AEE3 |
| I | Protease degs (EC 3.4.21.-) | protein | 193 | 13% helix, 38% strand | P0AEE3 |
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.70 | 0.97 | 21 | empty |
| 2 | 59 | 0.70 | 0.98 | 20 | empty |
| 3 | 61 | 0.69 | 0.97 | 21 | empty |
| 4 | 763 | 0.67 | 0.75 | 62 | empty |
| 5 | 304 | 0.63 | 0.80 | 57 | empty |
Interfaces
13 interfaces between chains.
- A–B · 1278 Ų buried · 32 hydrogen bonds · protein-protein
- G–H · 1212 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 1199 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 1184 Ų buried · 29 hydrogen bonds · protein-protein
- G–I · 1182 Ų buried · 25 hydrogen bonds · protein-protein
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 P0AEE3
- Elsewhere: RCSB PDB 3LGV · PDBe 3LGV · UniProt P0AEE3
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