Download MendeleyTerephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate.
Kumar, K.A., Pahwa, D.To be published.
8ZJ5
Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate.
- PDB DOI: https://doi.org/10.2210/pdb8ZJ5/pdb
- Classification: LYASE
- Organism(s): Comamonas testosteroni KF-1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2024-05-14 Released: 2024-09-25
- Funding Organization(s): Department of Biotechnology (DBT, India)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 ?
- R-Value Free: 0.303
- R-Value Work: 0.260
Starting Model: in silico
View more details
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 |
| 4-hydroxythreonine-4-phosphate dehydrogenase | 336 | Comamonas testosteroni KF-1 | Mutation(s): 0 Gene Names: CtesDRAFT_PD2128 EC: 1.1.1.262 |  | |
UniProt | |||||
Find proteins for B7WRJ7 (Comamonas testosteroni (strain DSM 14576 / KF-1)) Explore B7WRJ7 Go to UniProtKB: B7WRJ7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | B7WRJ7 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| DHB (Subject of Investigation/LOI) Query on DHB | F [auth C], H [auth D] | 3,4-DIHYDROXYBENZOIC ACID C7 H6 O4 YQUVCSBJEUQKSH-UHFFFAOYSA-N |  | ||
| ZN (Subject of Investigation/LOI) Query on ZN | E [auth B], G [auth C], I [auth D], J [auth D] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 ?
- R-Value Free: 0.303
- R-Value Work: 0.260
- Space Group: P 2 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 87.041 | ¦Á = 90 |
| b = 94.469 | ¦Â = 90 |
| c = 167.425 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| CrysalisPro | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-09-25 Deposition Author(s): Kumar, K.A., Pahwa, D., Kumar, P.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Department of Biotechnology (DBT, India) | India | DBT-2272-BIO-CNA |
Revision History (Full details and data files)
- Version 1.0: 2024-09-25
Type: Initial release - Version 1.1: 2024-10-09
Changes: Derived calculations, Structure summary
