Download MendeleyCrystal Structure of the Human CAMKK2B in complex with TAE-226
Counago, R.M., de Souza, G.P., dos Reis, C.V., Drewry, D., Massirer, K.B., Arruda, P., Edwards, A.M., Elkins, J.M., Structural Genomics Consortium (SGC)To be published.
6BQL | pdb_00006bql
Crystal Structure of the Human CAMKK2B in complex with TAE-226
- PDB DOI: https://doi.org/10.2210/pdb6BQL/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2017-11-28 Released: 2017-12-13
- Funding Organization(s): Sao Paulo Research Foundation (FAPESP)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 ?
- R-Value Free: 0.225 (Depositor), 0.230 (DCC)
- R-Value Work: 0.187 (Depositor), 0.200 (DCC)
- R-Value Observed: 0.189 (Depositor)
Starting Model: experimental
View more details
This is version 1.3 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 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| BI9 Query on BI9 | B [auth A] | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE C23 H25 Cl N6 O3 UYJNQQDJUOUFQJ-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | C [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| ACT Query on ACT | E [auth A], F [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
| CL Query on CL | D [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| NH4 Query on NH4 | G [auth A] | AMMONIUM ION H4 N QGZKDVFQNNGYKY-UHFFFAOYSA-O |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 ?
- R-Value Free: 0.225 (Depositor), 0.230 (DCC)
- R-Value Work: 0.187 (Depositor), 0.200 (DCC)
- R-Value Observed: 0.189 (Depositor)
Space Group: P 43 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 73.738 | α = 90 |
| b = 73.738 | β = 90 |
| c = 123.883 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-12-13 Deposition Author(s): Counago, R.M., de Souza, G.P., dos Reis, C.V., 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: 2017-12-13
Type: Initial release - Version 1.1: 2019-04-17
Changes: Author supporting evidence, Data collection - Version 1.2: 2020-01-01
Changes: Author supporting evidence - Version 1.3: 2023-10-04
Changes: Data collection, Database references, Refinement description
