Download MendeleyTREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics
Hemphill, W.O., Harvey, S.E., Simpson, S.R., Smalley, T.L., Salsbury, F.R., Perrino, F.W., Hollis, T.To be published.
7U8Y
TREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics
- PDB DOI: https://doi.org/10.2210/pdb7U8Y/pdb
- Classification: HYDROLASE/INHIBITOR
- Organism(s): Mus musculus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2022-03-09 Released: 2023-03-15
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID), National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS), National Institutes of Health/National Cancer Institute (NIH/NCI)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.22 Å
- R-Value Free: 0.222
- R-Value Work: 0.181
- R-Value Observed: 0.183
Starting Model: experimental
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This is version 1.1 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 |
| Three-prime repair exonuclease 1 | 229 | Mus musculus | Mutation(s): 0 Gene Names: Trex1 EC: 3.1.11.2 |  | |
UniProt | |||||
Find proteins for Q91XB0 (Mus musculus) Explore Q91XB0 Go to UniProtKB: Q91XB0 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q91XB0 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AZN (Subject of Investigation/LOI) Query on AZN | C [auth A], D [auth A], G [auth B], H [auth B] | ALIZARIN RED C14 H8 O7 S JKYKXTRKURYNGW-UHFFFAOYSA-N |  | ||
| MN Query on MN | E [auth A], F [auth A], I [auth B], J [auth B] | MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.22 Å
- R-Value Free: 0.222
- R-Value Work: 0.181
- R-Value Observed: 0.183
- Space Group: H 3
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 127.555 | α = 90 |
| b = 127.555 | β = 90 |
| c = 80.01 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PHASER | phasing |
| Coot | model building |
| CrysalisPro | data collection |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-03-15 Deposition Author(s): Hemphill, W.O., Harvey, S.E., Simpson, S.R., Smalley, T.L., Salsbury, F.R., Perrino, F.W., Hollis, T.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | AI116725 |
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | GM110734 |
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | P30CA012197 |
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | T32-AI007401 |
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | T32-GM095440 |
Revision History (Full details and data files)
- Version 1.0: 2023-03-15
Type: Initial release - Version 1.1: 2023-10-25
Changes: Data collection, Refinement description
