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Herud-Sikimic, O., Stiel, A.C., Kolb, M., Shanmugaratnam, S., Berendzen, K.W., Feldhaus, C., Hocker, B., Juergens, G.(2021) Nature
6ENN
Tryptophan Repressor TrpR from E.coli variant T44L T81M N87G S88Y with Indole-3-acetic acid as ligand
- PDB DOI: https://doi.org/10.2210/pdb6ENN/pdb
- Classification: TRANSCRIPTION
- Organism(s): Escherichia coli
- Expression System: Escherichia coli BL21
- Mutation(s): Yes
- Deposited: 2017-10-05 Released: 2019-02-06
- Funding Organization(s): German Research Foundation
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.17 Å
- R-Value Free: 0.180
- R-Value Work: 0.148
- R-Value Observed: 0.150
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Trp operon repressor | 116 | Escherichia coli | Mutation(s): 4 Gene Names: trpR, rtrY, b4393, JW4356 |  | |
UniProt | |||||
Find proteins for P0A881 (Escherichia coli (strain K12)) Explore P0A881 Go to UniProtKB: P0A881 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0A881 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| IAC Query on IAC | C [auth A], D [auth B] | 1H-INDOL-3-YLACETIC ACID C10 H9 N O2 SEOVTRFCIGRIMH-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.17 Å
- R-Value Free: 0.180
- R-Value Work: 0.148
- R-Value Observed: 0.150
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 54.577 | α = 90 |
| b = 63.185 | β = 90 |
| c = 64.904 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-02-06 Deposition Author(s): Stiel, A.C., Shanmugaratnam, S., Herud-Sikimic, O., Juergens, G., Hocker, B.
| Funding Organization | Location | Grant Number |
|---|---|---|
| German Research Foundation | Germany | HO 4022/2-3 |
Revision History (Full details and data files)
- Version 1.0: 2019-02-06
Type: Initial release - Version 1.1: 2021-04-07
Changes: Database references - Version 1.2: 2024-01-17
Changes: Data collection, Database references, Refinement description
