Download MendeleyCrystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT803
Delker, S.L., Mayclin, S.J., Phan, J.N., Abendroth, J., Lorimer, D., Edwards, T.E.To be published.
6C9C
Crystal structure of LpxC from Pseudomonas aeruginosa in complex with racemic ligand PT803
- PDB DOI: https://doi.org/10.2210/pdb6C9C/pdb
- Classification: hydrolase/hydrolase inhibitor
- Organism(s): Pseudomonas aeruginosa UCBPP-PA14
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2018-01-26 Released: 2019-03-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.213
- R-Value Work: 0.162
- R-Value Observed: 0.168
Starting Model: experimental
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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 |
| UDP-3-O-acyl-N-acetylglucosamine deacetylase | 304 | Pseudomonas aeruginosa UCBPP-PA14 | Mutation(s): 1 Gene Names: lpxC, PA14_57260 EC: 3.5.1.108 |  | |
UniProt | |||||
Find proteins for Q02H34 (Pseudomonas aeruginosa (strain UCBPP-PA14)) Explore Q02H34 Go to UniProtKB: Q02H34 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q02H34 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| F64 Query on F64 | C [auth A] | (2S)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide C24 H28 Cl N3 O7 S CDFIGPHKVBKXMP-DEOSSOPVSA-N |  | ||
| EU1 Query on EU1 | B [auth A] | (2R)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide C24 H28 Cl N3 O7 S CDFIGPHKVBKXMP-XMMPIXPASA-N |  | ||
| ZN Query on ZN | D [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | E [auth A], F [auth A], G [auth A], H [auth A], I [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.213
- R-Value Work: 0.162
- R-Value Observed: 0.168
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 35.66 | α = 90 |
| b = 79.34 | β = 92.01 |
| c = 50.92 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XSCALE | data scaling |
| PDB_EXTRACT | data extraction |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2019-03-13 Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Revision History (Full details and data files)
- Version 1.0: 2019-03-13
Type: Initial release - Version 1.1: 2019-04-03
Changes: Data collection, Other - Version 1.2: 2023-10-04
Changes: Data collection, Database references, Refinement description
