Download MendeleyCrystal structures of the Moraxella catarrhalis DOX-P Reductoisomerase
Birkinshaw, R.W., Brady, R.L.To be published.
4ZQG
Crystal structure of the Moraxella catarrhalis DOX-P Reductoisomerase in complex with NADH, fosmidomycin and magnesium
- PDB DOI: https://doi.org/10.2210/pdb4ZQG/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Moraxella catarrhalis
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2015-05-10 Released: 2016-06-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 ?
- R-Value Free: 0.230
- R-Value Work: 0.188
- R-Value Observed: 0.190
This is version 1.1 of the entry. See complete history.
Literature
To be published.
Macromolecules
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(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 415 | Moraxella catarrhalis | Mutation(s): 0 Gene Names: dxr, DR90_1378 EC: 1.1.1.267 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAD Query on NAD | C [auth A], H [auth B] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| NHE Query on NHE | G [auth A], L [auth B] | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID C8 H17 N O3 S MKWKNSIESPFAQN-UHFFFAOYSA-N |  | ||
| FOM Query on FOM | E [auth A], J [auth B] | 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID C4 H10 N O5 P GJXWDTUCERCKIX-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | F [auth A], K [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| MG Query on MG | D [auth A], I [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 ?
- R-Value Free: 0.230
- R-Value Work: 0.188
- R-Value Observed: 0.190
- Space Group: P 65
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 65.719 | α = 90 |
| b = 65.719 | β = 90 |
| c = 390.106 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| SCALA | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-06-29 Deposition Author(s): Birkinshaw, R.W., Brady, R.L.
Revision History (Full details and data files)
- Version 1.0: 2016-06-29
Type: Initial release - Version 1.1: 2024-05-08
Changes: Data collection, Database references, Derived calculations, Refinement description
