Research workbench
Oxa-48_L67F_CAZ. what doesnt kill you makes you stronger: sub-mic selection drives cryptic evolution of oxa-48
Analyse Oxa-48_L67F_CAZ. what doesnt kill you makes you stronger: sub-mic selection… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7ASS
- Type
- protein
- Length
- 968 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- Q6XEC0
- Ligands
- RYE, CL
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Beta-lactamase (EC 3.5.2.6) | protein | 242 | 41% helix, 21% strand | Q6XEC0 |
Ligands and binding sites
- RYE · hydrolyzed ceftazidime · ligand · 2 copies · chains C, D
- CL · Chloride ion · ion · 5 copies · chains B, D, A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.80 | 0.87 | 79 | CL |
| 2 | 666 | 0.79 | 0.84 | 98 | CL |
| 3 | 626 | 0.74 | 0.81 | 82 | empty |
Interfaces
3 interfaces between chains.
- A–C · 997 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 987 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 552 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (carboxylation).
Compared structures
- 7ASS · OXA-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-MIC Selection Drives… · 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 7ASS · PDBe 7ASS · UniProt Q6XEC0
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