Download MendeleyThe structure of a putative MarR family transcriptional regulator from Clostridium acetobutylicum
Cuff, M.E., Bigelow, L., Moy, S., Joachimiak, A.To be published.
3JW4
The structure of a putative MarR family transcriptional regulator from Clostridium acetobutylicum
- PDB DOI: https://doi.org/10.2210/pdb3JW4/pdb
- Classification: Transcription regulator
- Organism(s): Clostridium acetobutylicum
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2009-09-17 Released: 2009-12-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.242
- R-Value Work: 0.201
- R-Value Observed: 0.203
wwPDB Validation 3D Report Full Report
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 |
| Transcriptional regulator, MarR/EmrR family | 148 | Clostridium acetobutylicum | Mutation(s): 0 Gene Names: CAC2486, CA_C2486 |  | |
UniProt | |||||
Find proteins for Q97G83 (Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787)) Explore Q97G83 Go to UniProtKB: Q97G83 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q97G83 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | E [auth B], G [auth C] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| IMD Query on IMD | F [auth C] | IMIDAZOLE C3 H5 N2 RAXXELZNTBOGNW-UHFFFAOYSA-O |  | ||
| K Query on K | D [auth A] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B, C | 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: 0.242
- R-Value Work: 0.201
- R-Value Observed: 0.203
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 105.115 | α = 90 |
| b = 53.295 | β = 112.02 |
| c = 90.821 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MLPHARE | phasing |
| DM | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-3000 | data collection |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| HKL-3000 | phasing |
| SHELXD | phasing |
| SHELXE | model building |
| SOLVE | phasing |
| RESOLVE | phasing |
| ARP/wARP | model building |
| CCP4 | phasing |
| O | model building |
| Coot | model building |
Entry History
Deposition Data
- Released Date: 2009-12-22 Deposition Author(s): Cuff, M.E., Bigelow, L., Moy, S., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2009-12-22
Type: Initial release - Version 1.1: 2011-07-13
Changes: Advisory, Version format compliance
