Download MendeleyInvestigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
Maneiro, M., Otero, J.M., Peon, A., Sedes, A., Llamas-Saiz, A.L., Lamb, H., Hawkins, A.R., van Raaij, M.J., Gonzalez-Bello, C.To be published.
4CKW
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1)
- PDB DOI: https://doi.org/10.2210/pdb4CKW/pdb
- Classification: LYASE
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli K-12
- Mutation(s): Yes
- Deposited: 2014-01-10 Released: 2015-03-25
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.305
- R-Value Work: 0.200
- R-Value Observed: 0.205
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 |
| 3-DEHYDROQUINATE DEHYDRATASE | 146 | Mycobacterium tuberculosis | Mutation(s): 1 EC: 4.2.1.10 |  | |
UniProt | |||||
Find proteins for P9WPX7 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPX7 Go to UniProtKB: P9WPX7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WPX7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 3-DEHYDROQUINATE DEHYDRATASE | 146 | Mycobacterium tuberculosis | Mutation(s): 1 EC: 4.2.1.10 |  | |
UniProt | |||||
Find proteins for P9WPX7 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPX7 Go to UniProtKB: P9WPX7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WPX7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | E [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.305
- R-Value Work: 0.200
- R-Value Observed: 0.205
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 37.386 | α = 90 |
| b = 94.294 | β = 97.28 |
| c = 61.354 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| SCALE | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2015-03-25 Deposition Author(s): Otero, J.M., Llamas-Saiz, A.L., Maneiro, M., Peon, A., Sedes, A., Lamb, H., Hawkins, A.R., Gonzalez-Bello, C., van Raaij, M.J.
Revision History (Full details and data files)
- Version 1.0: 2015-03-25
Type: Initial release - Version 1.1: 2018-01-24
Changes: Database references - Version 1.2: 2023-12-20
Changes: Data collection, Database references, Derived calculations, Other, Refinement description
