Download MendeleySnapshots of Intermediates in the Condensation Reaction Catalyzed by Citrate Synthase
Lehmann, C., Kurz, L.C., Ellenberger, T.E.To be published.
2R9E
The structure of the binary complex of citryl dethia COA and citrate synthase from the thermophilic archaeonthermoplasma acidophilum
- PDB DOI: https://doi.org/10.2210/pdb2R9E/pdb
- Classification: TRANSFERASE
- Organism(s): Thermoplasma acidophilum
- Mutation(s): No
- Deposited: 2007-09-12 Released: 2008-09-30
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.215
- R-Value Work: 0.157
- R-Value Observed: 0.160
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 |
| Citrate synthase | 385 | Thermoplasma acidophilum | Mutation(s): 0 EC: 2.3.3.1 |  | |
UniProt | |||||
Find proteins for P21553 (Thermoplasma acidophilum (strain ATCC 25905 / DSM 1728 / JCM 9062 / NBRC 15155 / AMRC-C165)) Explore P21553 Go to UniProtKB: P21553 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P21553 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SDX Query on SDX | E [auth A], F [auth B], G [auth C], H [auth D] | s-citryldethia Coenzyme A C28 H46 N7 O22 P3 JCKIRWYQPYQCEC-LWCHDFGBSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.215
- R-Value Work: 0.157
- R-Value Observed: 0.160
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 67.061 | α = 99.35 |
| b = 73.498 | β = 98.19 |
| c = 89.983 | γ = 113.89 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| ADSC | data collection |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2008-09-30 Deposition Author(s): Lehmann, C., Chen, Z.
Revision History (Full details and data files)
- Version 1.0: 2008-09-30
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2024-02-21
Changes: Data collection, Database references, Derived calculations
