Download MendeleyCrystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin
Kim, Y., Joachimiak, G., Bigelow, L., Cobb, G., Joachimiak, A.To be published.
4RGS
Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin
- PDB DOI: https://doi.org/10.2210/pdb4RGS/pdb
- Classification: TRANSCRIPTION
- Organism(s): Acinetobacter baylyi ADP1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-09-30 Released: 2015-03-04
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.225
- R-Value Work: 0.165
- R-Value Observed: 0.167
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 |
| Repressor protein | 162 | Acinetobacter baylyi ADP1 | Mutation(s): 0 Gene Names: ACIAD1728, hcaR |  | |
UniProt | |||||
Find proteins for Q7X0D9 (Acinetobacter baylyi (strain ATCC 33305 / BD413 / ADP1)) Explore Q7X0D9 Go to UniProtKB: Q7X0D9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q7X0D9 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| V55 Query on V55 | C [auth A], G [auth B] | 4-hydroxy-3-methoxybenzaldehyde C8 H8 O3 MWOOGOJBHIARFG-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | D [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| GOL Query on GOL | E [auth A], H [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-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: 2.30 Å
- R-Value Free: 0.225
- R-Value Work: 0.165
- R-Value Observed: 0.167
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 63.679 | α = 90 |
| b = 82.816 | β = 90 |
| c = 63.026 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SBC-Collect | data collection |
| HKL-3000 | data collection |
| HKL-3000 | phasing |
| SHELXCD | phasing |
| SHELXE | model building |
| MLPHARE | phasing |
| DM | model building |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| DM | phasing |
Entry History
Deposition Data
- Released Date: 2015-03-04 Deposition Author(s): Kim, Y., Joachimiak, G., Bigelow, L., Cobb, G., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2015-03-04
Type: Initial release - Version 1.1: 2017-11-22
Changes: Refinement description - Version 1.2: 2024-11-06
Changes: Data collection, Database references, Derived calculations, Structure summary
