Research workbench
Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase
Analyse Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HOO
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.38
- Source
- Klebsiella pneumoniae
- Molecule
- Beta-lactamase,OXA-48loop18,Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- A0A023ZTE5, A0A0U4UUJ9
- Ligands
- SO4, F
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · resolution 2.38 · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase,OXA-48loop18,Beta-lactamase (EC 3.5.2.6) | protein | 251 | 37% helix, 20% strand | A0A023ZTE5, A0A0U4UUJ9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
- F · Fluoride ion · ion · chains B
- GOL · Glycerol · additive · 9 copies · chains A, B
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 | 745 | 0.77 | 0.81 | 108 | SO4, GOL |
| 2 | 54 | 0.38 | 0.80 | 16 | GOL |
| 3 | 56 | 0.36 | 0.79 | 16 | GOL |
Interfaces
1 interface between chains.
- A–B · 958 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (carboxylation, nonstandard).
Compared structures
- 6HOO · Crystal structure of rationally designed oxa-48LOOP18 beta-lactamase · 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 A0A023ZTE5
- Every structure of UniProt A0A0U4UUJ9
- Elsewhere: RCSB PDB 6HOO · PDBe 6HOO · UniProt A0A023ZTE5 · UniProt A0A0U4UUJ9
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