UniProt Q47066
Beta-lactamase Toho-1 (Q47066)
Beta-lactamase Toho-1 (UniProt Q47066), EC 3.5.2.6: 49 experimental structures and 1 predicted model on GenesisL1, 13 ligands bound, 49 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q47066
- Protein
- Beta-lactamase Toho-1
- EC
- 3.5.2.6
- Experimental structures
- 49
- Predicted models
- 1
- Ligands
- 13
- Pockets
- 49 · 2 records with a druggable one
Structures
50 records of Q47066 in the MolNFT archive: 49 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BZA | Beta-lactamase toho-1 from escherichia COLI TUH12191 | x-ray diffraction | A | SO4 | 1 (best 0.35) |
| 1BZA | Beta-lactamase toho-1 from escherichia COLI TUH12191 | x-ray diffraction | A | SO4 | 1 (best 0.35) |
| 1IYO | Toho-1 beta-Lactamase In Complex With Cefotaxime | x-ray diffraction | A | SO4, CEF | 1 (best 0.38) |
| 1IYO | Toho-1 beta-lactamase in complex with cefotaxime | x-ray diffraction | A | SO4, CEF | 1 (best 0.38) |
| 1IYP | Toho-1 beta-Lactamase In Complex With Cephalothin | x-ray diffraction | A | SO4, CEP | 1 (best 0.35) |
| 1IYP | Toho-1 beta-lactamase in complex with cephalothin | x-ray diffraction | A | SO4, CEP | 1 (best 0.35) |
| 1IYQ | Toho-1 beta-Lactamase In Complex With Benzylpenicillin | x-ray diffraction | A | SO4, PNM | 1 (best 0.34) |
| 1IYQ | Toho-1 beta-lactamase in complex with benzylpenicillin | x-ray diffraction | A | SO4, PNM | 1 (best 0.34) |
| 1IYS | Crystal Structure of Class A beta-Lactamase Toho-1 | x-ray diffraction | A | SO4 | 1 (best 0.35) |
| 1IYS | Crystal structure of class a beta-lactamase toho-1 | x-ray diffraction | A | SO4 | 1 (best 0.35) |
| 1WE4 | Crystal Structure of Class A beta-Lactamase Toho-1 G238C mutant | x-ray diffraction | A | SO4 | 1 (best 0.36) |
| 1WE4 | Crystal structure of class a beta-lactamase toho-1 G238C mutant | x-ray diffraction | A | SO4 | 1 (best 0.36) |
| 2WYX | Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant | neutron diffraction | A | — | 1 (best 0.30) |
| 2WYX | Neutron structure of a class a beta-lactamase toho-1 E166A R274N R276N triple mutant | neutron diffraction | A | — | 1 (best 0.30) |
| 2XQZ | Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase | neutron diffraction | A | — | 1 (best 0.33) |
| 2XQZ | Neutron structure of the perdeuterated toho-1 R274N R276N double mutant beta-lactamase | neutron diffraction | A | — | 1 (best 0.33) |
| 2XR0 | Room temperature X-ray structure of the perdeuterated Toho-1 R274N R276N double mutant… | x-ray diffraction | A | SO4 | 1 (best 0.32) |
| 2XR0 | Room temperature X-ray structure of the perdeuterated toho-1 R274N R276N double mutant… | x-ray diffraction | A | SO4 | 1 (best 0.32) |
| 2ZQ7 | Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant | x-ray diffraction | A | SO4 | 1 (best 0.29) |
| 2ZQ7 | Apo structure of class a beta-lactamase toho-1 E166A/R274N/R276N triple mutant | x-ray diffraction | A | SO4 | 1 (best 0.29) |
| 2ZQ8 | Apo structure of class a beta-lactamase Toho-1 R274N/R276N double mutant | x-ray diffraction | A | SO4 | 1 (best 0.30) |
| 2ZQ8 | Apo structure of class a beta-lactamase toho-1 R274N/R276N double mutant | x-ray diffraction | A | SO4 | 1 (best 0.30) |
| 2ZQ9 | Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1 E166A/R274N/R276N triple… | x-ray diffraction | A | SO4, CEO, CLS, SPA | 1 (best 0.30) |
| 2ZQ9 | Cephalothin acyl-intermediate structure of class a beta-lactamase toho-1 E166A/R274N/R276N triple… | x-ray diffraction | A | SO4, CEO, CLS, SPA | 1 (best 0.30) |
| 2ZQA | Cefotaxime acyl-intermediate structure of class a beta-lacta Toho-1 E166A/R274N/R276N triple mutant | x-ray diffraction | A | CEF, SO4 | 1 (best 0.29) |
| 2ZQA | Cefotaxime acyl-intermediate structure of class a beta-lacta toho-1 E166A/R274N/R276N triple mutant | x-ray diffraction | A | CEF, SO4 | 1 (best 0.29) |
| 2ZQC | Aztreonam acyl-intermediate structure of class a beta-lactam Toho-1 E166A/R274N/R276N triple mutant | x-ray diffraction | A | SO4, AZR | 1 (best 0.31) |
| 2ZQC | Aztreonam acyl-intermediate structure of class a beta-lactam toho-1 E166A/R274N/R276N triple mutant | x-ray diffraction | A | SO4, AZR | 1 (best 0.31) |
| 2ZQD | Ceftazidime acyl-intermediate structure of class a beta-lact Toho-1 E166A/R274N/R276N triple mutant | x-ray diffraction | A | SO4, CAZ | 1 (best 0.28) |
| 2ZQD | Ceftazidime acyl-intermediate structure of class a beta-lact toho-1 E166A/R274N/R276N triple mutant | x-ray diffraction | A | SO4, CAZ | 1 (best 0.28) |
| 4BD0 | X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with… | x-ray diffraction | A | BZB, SO4 | 1 (best 0.28) |
| 4BD0 | X-ray structure of a perdeuterated toho-1 R274N R276N double mutant beta-lactamase in complex with… | x-ray diffraction | A | BZB, SO4 | 1 (best 0.28) |
| 4BD1 | Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex… | neutron diffraction | A | BZB | 1 (best 0.30) |
| 4BD1 | Neutron structure of a perdeuterated toho-1 R274N R276N double mutant beta-lactamase in complex… | neutron diffraction | A | BZB | 1 (best 0.30) |
| 4C3Q | Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex… | neutron diffraction | A | BZB | 1 (best 0.29) |
| 4C3Q | Neutron structure of a perdeuterated toho-1 R274N R276N double mutant beta-lactamase in complex… | neutron diffraction | A | BZB | 1 (best 0.29) |
| 4X69 | Crystal structure of OP0595 complexed with CTX-M-44 | x-ray diffraction | A, B | OP0 | 3 (best 0.66) |
| 4X69 | Crystal structure of OP0595 complexed with ctx-M-44 | x-ray diffraction | A, B | OP0 | 3 (best 0.66) |
| 5A91 | 15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A… | x-ray diffraction | A | SO4 | 1 (best 0.30) |
| 5KMW | TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex | x-ray diffraction | A | SO4, PNM, PNN | — |
| 5KMW | TOHO1 beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex | x-ray diffraction | A | SO4, PNM, PNN | — |
| 5KSC | E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate | neutron diffraction | A | AZR | — |
| 5KSC | E166A/R274N/R276N toho-1 beta-lactamase aztreonam acyl-enzyme intermediate | neutron diffraction | A | AZR | — |
| 6C78 | Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For… | neutron diffraction | A | — | 1 (best 0.33) |
| 6C78 | Substrate binding induces conformational changes in a class a beta lactamase that primes it for… | neutron diffraction | A | — | 1 (best 0.33) |
| 6C79 | Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | x-ray diffraction | A | CE3, SO4 | 1 (best 0.35) |
| 6C79 | Conformational changes in a class a beta lactamase that prime it for catalysis | x-ray diffraction | A | CE3, SO4 | 1 (best 0.35) |
| 6C7A | Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | x-ray diffraction | A | SO4 | 1 (best 0.31) |
| 6C7A | Conformational changes in a class a beta lactamase that prime it for catalysis | x-ray diffraction | A | SO4 | 1 (best 0.31) |
| Q47066 | AlphaFold monomer V2.0 prediction for beta-lactamase toho-1 (Q47066) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 35 records
- BZB · Benzo[b]thiophene-2-boronic acid · in 6 records
- 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 · in 4 records
- CEF · CEFOTAXIME, C3' cleaved, open, bound form · in 4 records
- PNM · Open form - penicillin G · in 4 records
- CAZ · Acylated ceftazidime · in 2 records
- CE3 · (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid · in 2 records
- CEO · 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid · in 2 records
- CEP · Cephalothin group · in 2 records
- CLS · Cephalothin · in 2 records
- OP0 · (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy) amino]piperidine-2-carboxamide · in 2 records
- PNN · Penicillin G · in 2 records
- SPA · Thiopheneacetic acid · in 2 records
Experiment against prediction
- 1IYO chain A against the predicted model Q47066: TM-score 1.00, RMSD 0.36 Å
- 1IYO chain A against the predicted model Q47066: TM-score 1.00, RMSD 0.36 Å
- 4X69 chain B against the predicted model Q47066: TM-score 1.00, RMSD 0.36 Å
- 4X69 chain B against the predicted model Q47066: TM-score 1.00, RMSD 0.36 Å
- 4X69 chain A against the predicted model Q47066: TM-score 1.00, RMSD 0.36 Å
- 4X69 chain A against the predicted model Q47066: TM-score 1.00, RMSD 0.36 Å
- 5KMW chain A against the predicted model Q47066: TM-score 1.00, RMSD 0.37 Å
- 5KMW chain A against the predicted model Q47066: TM-score 1.00, RMSD 0.37 Å
- 6C79 chain A against the predicted model Q47066: TM-score 1.00, RMSD 0.38 Å
- 6C79 chain A against the predicted model Q47066: TM-score 1.00, RMSD 0.38 Å
Elsewhere
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