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E166A/R274N/R276N toho-1 beta-lactamase aztreonam acyl-enzyme intermediate

Analyse E166A/R274N/R276N toho-1 beta-lactamase aztreonam acyl-enzyme intermediate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KSC
Type
protein
Length
261 residues
Chains
1
Method
neutron diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase toho-1
EC
3.5.2.6
UniProt
Q47066
Ligands
AZR

Structure

neutron diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactamase toho-1 (EC 3.5.2.6)protein26141% helix, 17% strandQ47066

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

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 5KSC · E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate · the same entry in another collection · chain A against A, TM-score 1.00
  • Q47066 · AlphaFold monomer V2.0 prediction for beta-lactamase toho-1 (Q47066) · a predicted model of the same protein · chain A against A, TM-score 0.99

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