Download MendeleyCrystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (DBH bound)
Liu, L., Lovell, S., Battaile, K.P.To be published.
8U9A
Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (DBH bound)
- PDB DOI: https://doi.org/10.2210/pdb8U9A/pdb
- Classification: LIGASE
- Organism(s): Klebsiella aerogenes KCTC 2190
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2023-09-18 Released: 2023-09-27
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID), National Institutes of Health/Office of the Director
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.187
- R-Value Work: 0.161
- R-Value Observed: 0.162
Starting Model: experimental
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This is version 1.0 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 |
| 2,3-dihydroxybenzoate-2,3-dehydrogenase | 259 | Klebsiella aerogenes KCTC 2190 | Mutation(s): 2 Gene Names: EAE_13665 EC: 1.3.1.28 |  | |
UniProt | |||||
Find proteins for A0A0H3FXS4 (Klebsiella aerogenes (strain ATCC 13048 / DSM 30053 / CCUG 1429 / JCM 1235 / KCTC 2190 / NBRC 13534 / NCIMB 10102 / NCTC 10006 / CDC 819-56)) Explore A0A0H3FXS4 Go to UniProtKB: A0A0H3FXS4 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A0H3FXS4 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| DBH (Subject of Investigation/LOI) Query on DBH | C [auth A], D [auth A], F [auth B] | 2,3-DIHYDROXY-BENZOIC ACID C7 H6 O4 GLDQAMYCGOIJDV-UHFFFAOYSA-N |  | ||
| CL Query on CL | E [auth A], G [auth B], H [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.187
- R-Value Work: 0.161
- R-Value Observed: 0.162
- Space Group: P 21 21 2
- Diffraction Data: https://doi.org/10.18430/m38u9a
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 67.542 | ¦Á = 90 |
| b = 111.087 | ¦Â = 90 |
| c = 57.896 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| Aimless | data scaling |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-09-27 Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | 75N93022C00036 |
| National Institutes of Health/Office of the Director | United States | S10OD030394 |
Revision History (Full details and data files)
- Version 1.0: 2023-09-27
Type: Initial release
