Download MendeleyCrystal structure of muconate cycloisomerase from Jannaschia sp.
Bonanno, J.B., Freeman, J., Bain, K.T., Do, J., Romero, R., Sauder, J.M., Burley, S.K., Almo, S.C.To be published.
3I6T
Crystal structure of muconate cycloisomerase from Jannaschia sp.
- PDB DOI: https://doi.org/10.2210/pdb3I6T/pdb
- Classification: ISOMERASE
- Organism(s): Jannaschia sp. CCS1
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2009-07-07 Released: 2009-07-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.205
- R-Value Work: 0.169
- R-Value Observed: 0.170
wwPDB Validation 3D Report Full Report
This is version 1.5 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 |
| Muconate cycloisomerase | 381 | Jannaschia sp. CCS1 | Mutation(s): 0 Gene Names: Jann_1408 |  | |
UniProt | |||||
Find proteins for Q28SI7 (Jannaschia sp. (strain CCS1)) Explore Q28SI7 Go to UniProtKB: Q28SI7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q28SI7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| K Query on K | E [auth A], G [auth B], I [auth C], K [auth D] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |  | ||
| MG Query on MG | F [auth A], H [auth B], J [auth C], L [auth D] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.205
- R-Value Work: 0.169
- R-Value Observed: 0.170
- Space Group: P 4
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 134.196 | α = 90 |
| b = 134.196 | β = 90 |
| c = 89.74 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| MAR345 | data collection |
| MOSFLM | data reduction |
| SHELXCD | phasing |
| SHELXE | model building |
Entry History
Deposition Data
- Released Date: 2009-07-21 Deposition Author(s): Bonanno, J.B., Freeman, J., Bain, K.T., Do, J., Romero, R., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
Revision History (Full details and data files)
- Version 1.0: 2009-07-21
Type: Initial release - Version 1.1: 2011-07-13
Changes: Source and taxonomy, Version format compliance - Version 1.2: 2017-11-01
Changes: Refinement description - Version 1.3: 2018-11-21
Changes: Data collection, Structure summary - Version 1.4: 2021-02-10
Changes: Database references, Derived calculations, Structure summary - Version 1.5: 2024-02-21
Changes: Data collection, Database references
