Download MendeleyCrystal structure of human choline kinase alpha in complex with hemicholinium-3
Hong, B., Tempel, W., Rabeh, W.M., MacKenzie, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Bochkarev, A., Park, H.To be published.
3F2R
Crystal structure of human choline kinase alpha in complex with hemicholinium-3
- PDB DOI: https://doi.org/10.2210/pdb3F2R/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2008-10-30 Released: 2008-11-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.35 Å
- R-Value Free: 0.275
- R-Value Work: 0.221
- R-Value Observed: 0.222
This is version 1.5 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 |
| Choline kinase alpha | 401 | Homo sapiens | Mutation(s): 3 Gene Names: CHKA, CHK, CKI EC: 2.7.1.32 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P35790 (Homo sapiens) Explore P35790 Go to UniProtKB: P35790 | |||||
PHAROS: P35790 GTEx: ENSG00000110721 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P35790 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HC6 Query on HC6 | C [auth A], F [auth B] | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium) C24 H34 N2 O4 JIWUESGGKYLPPG-DNQXCXABSA-N |  | ||
| UNX Query on UNX | D [auth A], E [auth A], G [auth B], H [auth B] | UNKNOWN ATOM OR ION X |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.35 Å
- R-Value Free: 0.275
- R-Value Work: 0.221
- R-Value Observed: 0.222
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 55.553 | α = 90 |
| b = 119.581 | β = 90 |
| c = 131.301 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
| Coot | model building |
| MolProbity | model building |
Entry History
Deposition Data
- Released Date: 2008-11-11 Deposition Author(s): Hong, B., Tempel, W., Rabeh, W.M., MacKenzie, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Bochkarev, A., Park, H., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2008-11-11
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-10-25
Changes: Refinement description - Version 1.3: 2018-04-04
Changes: Data collection - Version 1.4: 2020-10-21
Changes: Data collection, Database references, Derived calculations - Version 1.5: 2023-09-06
Changes: Data collection, Database references, Refinement description
