Research workbench
Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate
Analyse Direct Observation of Active-site Protonation States in a Class A beta… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5G18
- Type
- protein
- Length
- 261 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.1
- Source
- ESCHERICHIA COLI
- Molecule
- Beta-lactamase ctx-M-97
- EC
- 3.5.2.6
- UniProt
- E1ANH6
- Ligands
- AZR, SO4
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · resolution 1.1 · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase ctx-M-97 (EC 3.5.2.6) | protein | 261 | 42% helix, 18% strand | E1ANH6 |
Ligands and binding sites
- AZR · 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S, 3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.30 | 0.74 | 15 | AZR |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5G18 · Direct observation of active-site protonation states in a class a beta lactamase with a… · the same entry in another collection · chain A against A, TM-score 1.00
- E1ANH6 · AlphaFold monomer V2.0 prediction for beta-lactamase ctx-M-97 (E1ANH6) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 E1ANH6
- Elsewhere: RCSB PDB 5G18 · PDBe 5G18 · UniProt E1ANH6
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