Download MendeleyCrystal structure of Mandelate racemase/muconate lactonizing protein from Actinobacillus succinogenes 130Z complexed with magnesium/sulfate
Malashkevich, V.N., Toro, R., Sauder, J.M., Burley, S.K., Almo, S.C.To be published.
3N6H
Crystal structure of Mandelate racemase/muconate lactonizing protein from Actinobacillus succinogenes 130Z complexed with magnesium/sulfate
- PDB DOI: https://doi.org/10.2210/pdb3N6H/pdb
- Classification: ISOMERASE
- Organism(s): Actinobacillus succinogenes 130Z
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2010-05-25 Released: 2010-07-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.278
- R-Value Work: 0.219
- R-Value Observed: 0.221
wwPDB Validation 3D Report Full Report
This is version 1.6 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 |
| Mandelate racemase/muconate lactonizing protein | 455 | Actinobacillus succinogenes 130Z | Mutation(s): 0 Gene Names: 152979509, Asuc_1852 |  | |
UniProt | |||||
Find proteins for A6VQF6 (Actinobacillus succinogenes (strain ATCC 55618 / DSM 22257 / CCUG 43843 / 130Z)) Explore A6VQF6 Go to UniProtKB: A6VQF6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A6VQF6 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | E [auth A], G [auth B], J [auth C], L [auth D] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| CL Query on CL | I [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| MG Query on MG | F [auth A], H [auth B], K [auth C], M [auth D] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B, C, D | 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: 0.278
- R-Value Work: 0.219
- R-Value Observed: 0.221
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 97.397 | α = 90 |
| b = 85.884 | β = 96.03 |
| c = 112.424 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| CBASS | data collection |
| HKL-2000 | data reduction |
Entry History
Deposition Data
- Released Date: 2010-07-21 Deposition Author(s): Malashkevich, V.N., Patskovsky, Y., Toro, 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: 2010-07-21
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-11-08
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: 2023-09-06
Changes: Data collection, Database references, Refinement description - Version 1.6: 2023-11-22
Changes: Data collection
