Download MendeleyStructure function analysis of soluble inhibitors of cholix toxin from Vibrio cholerae
Jorgensen, R., Edwards, P.R., Merrill, A.R.To be published.
3KI1
Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with inhibitor GP-F
- PDB DOI: https://doi.org/10.2210/pdb3KI1/pdb
- Classification: Transferase,toxin
- Organism(s): Vibrio cholerae
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2009-10-31 Released: 2010-10-27
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.43 Å
- R-Value Free: 0.203
- R-Value Work: 0.175
- R-Value Observed: 0.177
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 |
| Cholix toxin | 211 | Vibrio cholerae | Mutation(s): 0 Gene Names: chxa, toxA EC: 2.4.2.36 |  | |
UniProt | |||||
Find proteins for Q5EK40 (Vibrio cholerae) Explore Q5EK40 Go to UniProtKB: Q5EK40 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q5EK40 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| G9F Query on G9F | B [auth A], C [auth A] | 2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one C21 H24 N4 O2 MTJCJUPJHXRBGL-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.43 Å
- R-Value Free: 0.203
- R-Value Work: 0.175
- R-Value Observed: 0.177
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 40.12 | α = 90 |
| b = 65.79 | β = 90 |
| c = 78.08 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| Macromolecular | data collection |
| XDS | data reduction |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2010-10-27 Deposition Author(s): Jorgensen, R., Edwards, P.R., Merrill, A.R.
Revision History (Full details and data files)
- Version 1.0: 2010-10-27
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description
