Research workbench
Crystal structure of the 19F labelled OXA-48
Analyse Crystal structure of the 19F labelled OXA-48 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RJ7
- Type
- protein
- Length
- 487 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.73002
- Source
- Klebsiella pneumoniae
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- Q6XEC0
- Ligands
- CA, CL
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · resolution 1.73002 · 2 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 242 | 41% helix, 21% strand | Q6XEC0 |
| B | Beta-lactamase (EC 3.5.2.6) | protein | 245 | 41% helix, 20% strand | Q6XEC0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 814 | 0.78 | 0.82 | 108 | CL |
| 2 | 63 | 0.39 | 0.80 | 16 | empty |
| 3 | 61 | 0.35 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 982 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (carboxylation, nonstandard).
Compared structures
- 6RJ7 · Crystal structure of the 19F labelled oxa-48 · 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 Q6XEC0
- Elsewhere: RCSB PDB 6RJ7 · PDBe 6RJ7 · UniProt Q6XEC0
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