Download MendeleyCrystal structure of transcriptional regulator TM1030 with octanol
Koclega, K.D., Chruszcz, M., Cooper, D.R., Petkowski, J.J., Tkaczuk, K.L., Joachimiak, A., Minor, W.To be published.
4I76
Crystal structure of transcriptional regulator TM1030 with octanol
- PDB DOI: https://doi.org/10.2210/pdb4I76/pdb
- Classification: Transcription Regulator
- Organism(s): Thermotoga maritima MSB8
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2012-11-30 Released: 2013-01-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.256
- R-Value Work: 0.193
- R-Value Observed: 0.196
wwPDB Validation 3D Report Full Report
This is version 1.4 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 |
| Transcriptional regulator, TetR family | 202 | Thermotoga maritima MSB8 | Mutation(s): 0 Gene Names: TM1030, TM_1030 |  | |
UniProt | |||||
Find proteins for Q9X0C0 (Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8)) Explore Q9X0C0 Go to UniProtKB: Q9X0C0 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9X0C0 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| OC9 Query on OC9 | C [auth A], D [auth A] | OCTAN-1-OL C8 H18 O KBPLFHHGFOOTCA-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | E [auth A], F [auth A], G [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.256
- R-Value Work: 0.193
- R-Value Observed: 0.196
- Space Group: C 1 2 1
- Diffraction Data: https://doi.org/10.18430/M3PP4J
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 121.911 | α = 90 |
| b = 50.429 | β = 129.15 |
| c = 88.098 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| Blu-Ice | data collection |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2013-01-02 Deposition Author(s): Koclega, K.D., Chruszcz, M., Cooper, D.R., Petkowski, J.J., Tkaczuk, K.L., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2013-01-02
Type: Initial release - Version 1.1: 2017-11-15
Changes: Refinement description - Version 1.2: 2022-04-13
Changes: Database references, Derived calculations, Structure summary - Version 1.3: 2023-09-20
Changes: Data collection, Refinement description - Version 1.4: 2023-12-06
Changes: Data collection
