Download MendeleyCrystal Structure of Enoyl-CoA Hydratase/Isomerase Family Protein
Kim, Y., Xu, X., Cui, H., Ng, J., Savchenko, A., Edwards, A., Joachimiak, A.To be published.
3JU1 | pdb_00003ju1
Crystal Structure of Enoyl-CoA Hydratase/Isomerase Family Protein
- PDB DOI: https://doi.org/10.2210/pdb3JU1/pdb
- Classification: lyase, isomerase
- Organism(s): Shewanella oneidensis MR-1
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2009-09-14 Released: 2009-09-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.231 (Depositor), 0.224 (DCC)
- R-Value Work: 0.193 (Depositor), 0.190 (DCC)
- R-Value Observed: 0.195 (Depositor)
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 |
| Enoyl-CoA hydratase/isomerase family protein | 407 | Shewanella oneidensis MR-1 | Mutation(s): 0 Gene Names: SO_1681 EC: 3.1.2.4 |  | |
UniProt | |||||
Find proteins for Q8EGC3 (Shewanella oneidensis (strain ATCC 700550 / JCM 31522 / CIP 106686 / LMG 19005 / NCIMB 14063 / MR-1)) Explore Q8EGC3 Go to UniProtKB: Q8EGC3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8EGC3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | F [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| ACY Query on ACY | C [auth A], H [auth B] | ACETIC ACID C2 H4 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N |  | ||
| FMT Query on FMT | D [auth A], E [auth A], G [auth B], I [auth B], J [auth B] | FORMIC ACID C H2 O2 BDAGIHXWWSANSR-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: 2.30 Å
- R-Value Free: 0.231 (Depositor), 0.224 (DCC)
- R-Value Work: 0.193 (Depositor), 0.190 (DCC)
- R-Value Observed: 0.195 (Depositor)
Space Group: P 32 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 83.982 | α = 90 |
| b = 83.982 | β = 90 |
| c = 277.832 | γ = 120 |
| Software Name | Purpose |
|---|---|
| SBC-Collect | data collection |
| HKL-3000 | data collection |
| HKL-3000 | phasing |
| SHELXD | phasing |
| MLPHARE | phasing |
| DM | model building |
| RESOLVE | model building |
| Coot | model building |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| DM | phasing |
| RESOLVE | phasing |
Entry History
Deposition Data
- Released Date: 2009-09-22 Deposition Author(s): Kim, Y., Xu, X., Cui, H., Ng, J., Savchenko, A., Edwards, A., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2009-09-22
Type: Initial release - Version 1.1: 2011-07-13
Changes: Source and taxonomy, Version format compliance - Version 1.2: 2024-10-09
Changes: Data collection, Database references, Derived calculations, Structure summary
