Download MendeleyThe crystal structure of an alpha/beta hydrolase from Sphaerobacter thermophilus DSM 20745.
Tan, K., Wu, R., Clancy, S., Joachimiak, A.To be published.
3R0V
The crystal structure of an alpha/beta hydrolase from Sphaerobacter thermophilus DSM 20745.
- PDB DOI: https://doi.org/10.2210/pdb3R0V/pdb
- Classification: HYDROLASE
- Organism(s): Sphaerobacter thermophilus DSM 20745
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2011-03-09 Released: 2011-04-06
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.38 Å
- R-Value Free: 0.185
- R-Value Work: 0.163
- R-Value Observed: 0.165
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 |
| Alpha/beta hydrolase fold protein | 262 | Sphaerobacter thermophilus DSM 20745 | Mutation(s): 0 Gene Names: Sphaerobacter thermophilus, Sthe_2971 |  | |
UniProt | |||||
Find proteins for D1C982 (Sphaerobacter thermophilus (strain DSM 20745 / S 6022)) Explore D1C982 Go to UniProtKB: D1C982 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | D1C982 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MLT Query on MLT | F [auth A] | D-MALATE C4 H6 O5 BJEPYKJPYRNKOW-UWTATZPHSA-N |  | ||
| GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| BME Query on BME | D [auth A], E [auth A] | BETA-MERCAPTOETHANOL C2 H6 O S DGVVWUTYPXICAM-UHFFFAOYSA-N |  | ||
| CL Query on CL | B [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| Modified Residues 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
| OCS Query on OCS | A | L-PEPTIDE LINKING | C3 H7 N O5 S |  | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.38 Å
- R-Value Free: 0.185
- R-Value Work: 0.163
- R-Value Observed: 0.165
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 65.22 | α = 90 |
| b = 72.162 | β = 90 |
| c = 45.066 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SBC-Collect | data collection |
| SHELXD | phasing |
| MLPHARE | phasing |
| DM | model building |
| ARP | model building |
| WARP | model building |
| HKL-3000 | phasing |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| DM | phasing |
Entry History
Deposition Data
- Released Date: 2011-04-06 Deposition Author(s): Tan, K., Wu, R., Clancy, S., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2011-04-06
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance
