Download MendeleyCrystal structure of a predicted phosphatase from Clostridium acetobutylicum
Eswaramoorthy, S., Burley, S.K., Swaminathan, S.To be published.
3MC1
Crystal structure of a predicted phosphatase from Clostridium acetobutylicum
- PDB DOI: https://doi.org/10.2210/pdb3MC1/pdb
- Classification: HYDROLASE
- Organism(s): Clostridium acetobutylicum
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2010-03-26 Released: 2010-04-07
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.93 Å
- R-Value Free: 0.272
- R-Value Work: 0.224
- R-Value Observed: 0.245
wwPDB Validation 3D Report Full Report
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 |
| Predicted phosphatase, HAD family | 226 | Clostridium acetobutylicum | Mutation(s): 0 Gene Names: CA_C0418 |  | |
UniProt | |||||
Find proteins for Q97LY2 (Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787)) Explore Q97LY2 Go to UniProtKB: Q97LY2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q97LY2 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | E [auth A], H [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CL Query on CL | D [auth A], G [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| NA Query on NA | C [auth A], F [auth B] | SODIUM ION Na FKNQFGJONOIPTF-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: 1.93 Å
- R-Value Free: 0.272
- R-Value Work: 0.224
- R-Value Observed: 0.245
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 63.938 | α = 90 |
| b = 53.524 | β = 97.1 |
| c = 64.182 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CBASS | data collection |
| SHELX | model building |
| SHARP | phasing |
| CNS | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| SHELX | phasing |
Entry History
Deposition Data
- Released Date: 2010-04-07 Deposition Author(s): Eswaramoorthy, S., Burley, S.K., Swaminathan, S., New York SGX Research Center for Structural Genomics (NYSGXRC)
Revision History (Full details and data files)
- Version 1.0: 2010-04-07
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2021-02-10
Changes: Database references, Derived calculations, Structure summary
