Research workbench
Molecular insights into clinically isolated OmpC mutants and their role in multi-drug resistance
Analyse Molecular insights into clinically isolated OmpC mutants and their role in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XG6
- Type
- protein
- Length
- 2,058 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.47
- Source
- ESCHERICHIA COLI
- Molecule
- Ompc
- UniProt
- Q9K597
- Ligands
- SO4
- Pockets
- 17 · best druggability 0.72
Structure
x-ray diffraction · resolution 3.47 · 1 distinct chain · 6% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Ompc | protein | 343 | 6% helix, 57% strand | Q9K597 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1044 | 0.72 | 0.76 | 75 | empty |
| 2 | 1053 | 0.71 | 0.76 | 87 | SO4 |
| 3 | 762 | 0.71 | 0.78 | 74 | SO4 |
| 4 | 1043 | 0.71 | 0.75 | 81 | empty |
| 5 | 773 | 0.71 | 0.77 | 67 | SO4 |
Interfaces
6 interfaces between chains.
- D–E · 1621 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1610 Ų buried · 31 hydrogen bonds · protein-protein
- D–F · 1605 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 1603 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 1602 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 2XG6 · Molecular insights into clinically isolated ompc mutants and their role in multi-drug… · 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 Q9K597
- Elsewhere: RCSB PDB 2XG6 · PDBe 2XG6 · UniProt Q9K597
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