Download MendeleyCrystal structure of MDD in complex with Dihydroxyacetone
Zhao, H.-T., El-Kabbani, O., Hara, A.To be published.
3OHS
Crystal Structure of Mammalian Dimeric Dihydrodiol Dehydrogenase in complex with Dihydroxyacetone
- PDB DOI: https://doi.org/10.2210/pdb3OHS/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Macaca fascicularis
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2010-08-18 Released: 2011-08-24
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.205
- R-Value Work: 0.161
- R-Value Observed: 0.163
wwPDB Validation 3D Report Full Report
This is version 1.1 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 |
| Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | A [auth X] | 334 | Macaca fascicularis | Mutation(s): 0 Gene Names: DHDH, 2DD EC: 1.3.1.20 (PDB Primary Data), 1.1.1.179 (PDB Primary Data) |  |
UniProt | |||||
Find proteins for Q9TQS6 (Macaca fascicularis) Explore Q9TQS6 Go to UniProtKB: Q9TQS6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9TQS6 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | B [auth X] C [auth X] D [auth X] E [auth X] F [auth X] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| 2HA Query on 2HA | K [auth X] | Dihydroxyacetone C3 H6 O3 RXKJFZQQPQGTFL-UHFFFAOYSA-N |  | ||
| BME Query on BME | J [auth X] | BETA-MERCAPTOETHANOL C2 H6 O S DGVVWUTYPXICAM-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.205
- R-Value Work: 0.161
- R-Value Observed: 0.163
- Space Group: P 61 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 122.446 | α = 90 |
| b = 122.446 | β = 90 |
| c = 121.388 | γ = 120 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| MOLREP | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2011-08-24 Deposition Author(s): Zhao, H.-T., El-Kabbani, O.
Revision History (Full details and data files)
- Version 1.0: 2011-08-24
Type: Initial release - Version 1.1: 2023-11-01
Changes: Data collection, Database references, Derived calculations, Refinement description, Structure summary
