Download MendeleyStructural explanation for success and failure in the enzymatic ring-cleavage of 3,4 dihydroxybiphenyl and related PCB metabolites
Neau, D.B., Kelker, M.S., Maaroufi, H., Colbert, C.L., Eltis, L.D., Bolin, J.T.To be published.
2EI2
Crystal Structure Analysis of the 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. stain C18
- PDB DOI: https://doi.org/10.2210/pdb2EI2/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Pseudomonas sp. C18
- Expression System: Pseudomonas putida
- Mutation(s): No
- Deposited: 2007-03-10 Released: 2008-02-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.69 Å
- R-Value Free: 0.186
- R-Value Work: 0.161
- R-Value Observed: 0.163
Starting Model: experimental
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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 |
| 1,2-dihydroxynaphthalene dioxygenase | 302 | Pseudomonas sp. C18 | Mutation(s): 0 Gene Names: doxg EC: 1.13.11 (PDB Primary Data), 1.13.11.56 (UniProt) |  | |
UniProt | |||||
Find proteins for P0A108 (Pseudomonas sp. (strain C18)) Explore P0A108 Go to UniProtKB: P0A108 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0A108 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | D [auth A], E [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| FE2 Query on FE2 | C [auth A] | FE (II) ION Fe CWYNVVGOOAEACU-UHFFFAOYSA-N |  | ||
| MG Query on MG | B [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.69 Å
- R-Value Free: 0.186
- R-Value Work: 0.161
- R-Value Observed: 0.163
- Space Group: I 4 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 118.39 | α = 90 |
| b = 118.39 | β = 90 |
| c = 120.66 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2008-02-19 Deposition Author(s): Neau, D.B., Kelker, M.S., Colbert, C.L., Bolin, J.T.
Revision History (Full details and data files)
- Version 1.0: 2008-02-19
Type: Initial release - Version 1.1: 2011-07-13
Changes: Advisory, Derived calculations, Source and taxonomy, Version format compliance - Version 1.2: 2023-10-25
Changes: Data collection, Database references, Derived calculations, Refinement description
