Download MendeleyCrystal structure of thioesterase superfamily (YP_509914.1) from Jannaschia Sp. CCS1 at 2.00 A resolution
Joint Center for Structural Genomics (JCSG)To be published.
2NUJ
Crystal structure of thioesterase superfamily (YP_509914.1) from Jannaschia Sp. CCS1 at 2.00 A resolution
- PDB DOI: https://doi.org/10.2210/pdb2NUJ/pdb
- Classification: HYDROLASE
- Organism(s): Jannaschia
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2006-11-09 Released: 2006-12-12
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.187
- R-Value Work: 0.155
- R-Value Observed: 0.157
wwPDB Validation 3D Report Full Report
This is version 1.4 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 |
| Thioesterase superfamily | 163 | Jannaschia | Mutation(s): 4 Gene Names: YP_509914.1 |  | |
UniProt | |||||
Find proteins for Q28QX3 (Jannaschia sp. (strain CCS1)) Explore Q28QX3 Go to UniProtKB: Q28QX3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q28QX3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MPD Query on MPD | C [auth A], D [auth A], E [auth B], F [auth B], G [auth B] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-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: 2.00 Å
- R-Value Free: 0.187
- R-Value Work: 0.155
- R-Value Observed: 0.157
- Space Group: P 41 2 2
- Diffraction Data: https://doi.org/10.18430/M32NUJ
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 78.401 | α = 90 |
| b = 78.401 | β = 90 |
| c = 151.418 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MolProbity | model building |
| SHELX | phasing |
| REFMAC | refinement |
| SCALA | data scaling |
| PDB_EXTRACT | data extraction |
| MOSFLM | data reduction |
| CCP4 | data scaling |
| SHELXD | phasing |
| autoSHARP | phasing |
Entry History
Deposition Data
- Released Date: 2006-12-12 Deposition Author(s): Joint Center for Structural Genomics (JCSG)
Revision History (Full details and data files)
- Version 1.0: 2006-12-12
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Advisory, Derived calculations, Version format compliance - Version 1.3: 2017-10-18
Changes: Refinement description - Version 1.4: 2023-01-25
Changes: Database references, Derived calculations
