Download MendeleyCo-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
Ehrmann, F.R., Stojko, J., Heine, A., Diederich, F., Reiter, K., Sanglier-Cianferani, S., Klebe, G.To be published.
5I07
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
- PDB DOI: https://doi.org/10.2210/pdb5I07/pdb
- Classification: TRANSFERASE
- Organism(s): Zymomonas mobilis subsp. mobilis ZM4 = ATCC 31821
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2016-02-03 Released: 2017-02-15
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.89 Å
- R-Value Free: 0.220
- R-Value Work: 0.191
- R-Value Observed: 0.193
Starting Model: experimental
View more details
This is version 1.2 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Queuine tRNA-ribosyltransferase | 386 | Zymomonas mobilis subsp. mobilis ZM4 = ATCC 31821 | Mutation(s): 0 Gene Names: tgt, ZMO0363 EC: 2.4.2.29 |  | |
UniProt | |||||
Find proteins for P28720 (Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)) Explore P28720 Go to UniProtKB: P28720 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P28720 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NE8 Query on NE8 | G [auth A], L [auth B] | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE C17 H15 N5 O PBZAIUVFRISTSZ-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | C [auth A], D [auth A], E [auth A], J [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | F [auth A], K [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | H [auth A], I [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.89 Å
- R-Value Free: 0.220
- R-Value Work: 0.191
- R-Value Observed: 0.193
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 69.133 | α = 90 |
| b = 78.854 | β = 108.99 |
| c = 85.171 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
| Coot | model building |
Entry History
Deposition Data
- Released Date: 2017-02-15 Deposition Author(s): Ehrmann, F.R., Nguyen, D., Heine, A., Klebe, G.
Revision History (Full details and data files)
- Version 1.0: 2017-02-15
Type: Initial release - Version 1.1: 2018-03-07
Changes: Data collection - Version 1.2: 2024-01-10
Changes: Data collection, Database references, Refinement description
