Download MendeleyCrystal Structure of the Human CAMKK2B in complex with CP673451
Counago, R.M., dos Reis, C.V., de Souza, G.P., Ramos, P.Z., Drewry, D., Massirer, K.B., Arruda, P., Edwards, A.M., Elkins, J.M.To be published.
6BLE
Crystal Structure of the Human CAMKK2B in complex with CP673451
- PDB DOI: https://doi.org/10.2210/pdb6BLE/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2017-11-10 Released: 2017-11-29
- Funding Organization(s): Sao Paulo Research Foundation (FAPESP)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 ?
- R-Value Free: 0.227
- R-Value Work: 0.186
- R-Value Observed: 0.188
Starting Model: experimental
View more details
This is version 1.4 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 |
| Calcium/calmodulin-dependent protein kinase kinase 2 | 291 | Homo sapiens | Mutation(s): 0 Gene Names: CAMKK2, CAMKKB, KIAA0787 EC: 2.7.11.17 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q96RR4 (Homo sapiens) Explore Q96RR4 Go to UniProtKB: Q96RR4 | |||||
PHAROS: Q96RR4 GTEx: ENSG00000110931 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q96RR4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 34U Query on 34U | B [auth A] | 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine C24 H27 N5 O2 DEEOXSOLTLIWMG-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 ?
- R-Value Free: 0.227
- R-Value Work: 0.186
- R-Value Observed: 0.188
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 48.998 | ¦Á = 90 |
| b = 77.681 | ¦Â = 90 |
| c = 78.064 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-11-29 Deposition Author(s): Counago, R.M., dos Reis, C.V., de Souza, G.P., Ramos, P.Z., Drewry, D., Massirer, K.B., Arruda, P., Edwards, A.M., Elkins, J.M., Structural Genomics Consortium (SGC)
| Funding Organization | Location | Grant Number |
|---|---|---|
| Sao Paulo Research Foundation (FAPESP) | Brazil | 13/50724-5 |
Revision History (Full details and data files)
- Version 1.0: 2017-11-29
Type: Initial release - Version 1.1: 2017-12-13
Changes: Database references, Structure summary - Version 1.2: 2019-04-17
Changes: Author supporting evidence, Data collection - Version 1.3: 2020-01-01
Changes: Author supporting evidence - Version 1.4: 2023-10-04
Changes: Data collection, Database references, Refinement description
