Research workbench
Structure of a. aeolicus pilt with 6 monomers per asymmetric unit
Analyse Structure of a. aeolicus pilt with 6 monomers per asymmetric unit in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GSZ
- Type
- protein
- Length
- 2,058 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Twitching motility protein pilt
- Ligands
- ADP, SO4
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Twitching motility protein pilt | protein | 343 | 34% helix, 21% strand | — |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains F
- SO4 · Sulfate ion · ion · 3 copies · chains B, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1033 | 0.84 | 0.85 | 104 | SO4 |
| 2 | 1085 | 0.83 | 0.84 | 110 | SO4 |
| 3 | 949 | 0.80 | 0.82 | 89 | SO4 |
| 4 | 986 | 0.79 | 0.81 | 86 | empty |
| 5 | 1131 | 0.79 | 0.81 | 101 | empty |
Interfaces
7 interfaces between chains.
- D–E · 1754 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1684 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1552 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1520 Ų buried · 12 hydrogen bonds · protein-protein
- A–F · 1475 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 54 modified (engineered).
Compared structures
- 2GSZ · Structure of A. aeolicus PilT with 6 monomers per asymmetric unit · 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 2GSZ · PDBe 2GSZ
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