Download MendeleyCrystallographic Studies of Intradiol Dioxygenases.
Vetting, M.W.(2001) Phd Thesis
2BUU
Crystal Structure Of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R457S in complex with 4-Nitrocatechol
- PDB DOI: https://doi.org/10.2210/pdb2BUU/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Acinetobacter baylyi ADP1
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2005-06-17 Released: 2006-10-26
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 ?
- R-Value Free: 0.201
- R-Value Work: 0.167
- R-Value Observed: 0.167
Starting Model: experimental
View more details
This is version 1.4 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN | 209 | Acinetobacter baylyi ADP1 | Mutation(s): 0 EC: 1.13.11.3 |  | |
UniProt | |||||
Find proteins for P20371 (Acinetobacter baylyi (strain ATCC 33305 / BD413 / ADP1)) Explore P20371 Go to UniProtKB: P20371 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P20371 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| PROTOCATECHUATE 3,4-DIOXYGENASE BETA CHAIN | 241 | Acinetobacter baylyi ADP1 | Mutation(s): 1 EC: 1.13.11.3 |  | |
UniProt | |||||
Find proteins for P20372 (Acinetobacter baylyi (strain ATCC 33305 / BD413 / ADP1)) Explore P20372 Go to UniProtKB: P20372 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P20372 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 4NC Query on 4NC | D [auth B] | 4-NITROCATECHOL C6 H5 N O4 XJNPNXSISMKQEX-UHFFFAOYSA-N |  | ||
| FE Query on FE | C [auth B] | FE (III) ION Fe VTLYFUHAOXGGBS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 ?
- R-Value Free: 0.201
- R-Value Work: 0.167
- R-Value Observed: 0.167
- Space Group: I 2 3
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 144.58 | ¦Á = 90 |
| b = 144.58 | ¦Â = 90 |
| c = 144.58 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| CrystalClear | data reduction |
| CrystalClear | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2006-10-26 Deposition Author(s): Vetting, M.W., Valley, M.P., D'Argenio, D.A., Ornston, L.N., Lipscomb, J.D., Ohlendorf, D.H.
Revision History (Full details and data files)
- Version 1.0: 2006-10-26
Type: Initial release - Version 1.1: 2011-05-08
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2019-05-22
Changes: Data collection, Other, Refinement description - Version 1.4: 2023-12-13
Changes: Data collection, Database references, Derived calculations, Other, Refinement description
