Research workbench
Structure of legionella fallonii degq (S193A variant)
Analyse Structure of legionella fallonii degq (S193A variant) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PV3
- Type
- protein
- Length
- 1,585 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Degq; Substrate peptide (poly-ala)
- Pockets
- 17 · best druggability 0.74
Structure
x-ray diffraction · 7 distinct chains · 17% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Degq | protein | 392 | 17% helix, 42% strand | — |
| B | Degq | protein | 392 | 15% helix, 38% strand | — |
| C | Degq | protein | 384 | 18% helix, 40% strand | — |
| D | Degq | protein | 390 | 18% helix, 41% strand | — |
| E, G | Substrate peptide (poly-ala) | protein | 6 | 0% helix, 33% strand | — |
| F | Substrate peptide (poly-ala) | protein | 7 | 0% helix, 43% strand | — |
| H | Substrate peptide (poly-ala) | protein | 8 | 0% helix, 25% strand | — |
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 288 | 0.74 | 0.87 | 48 | empty |
| 2 | 821 | 0.72 | 0.78 | 81 | empty |
| 3 | 460 | 0.62 | 0.76 | 46 | empty |
| 4 | 414 | 0.60 | 0.75 | 36 | empty |
| 5 | 277 | 0.55 | 0.76 | 39 | empty |
Interfaces
8 interfaces between chains.
- B–C · 941 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 911 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 870 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 866 Ų buried · 12 hydrogen bonds · protein-protein
- D–H · 426 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3PV3 · Structure of Legionella fallonii DegQ (S193A variant) · 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
- Elsewhere: RCSB PDB 3PV3 · PDBe 3PV3
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