Crystal 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.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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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 | |||||
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Ligands 5 Unique | |||||
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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 |
Length ( Å ) | Angle ( ˚ ) |
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a = 73.738 | α = 90 |
b = 73.738 | β = 90 |
c = 123.883 | γ = 90 |
Software Name | Purpose |
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REFMAC | refinement |
XDS | data reduction |
Aimless | data scaling |
PHASER | phasing |
Funding Organization | Location | Grant Number |
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Sao Paulo Research Foundation (FAPESP) | Brazil | 13/50724-5 |