Fragment KCL_914 in complex with MAP kinase p38-alpha
De Nicola, G.F., Nichols, C.E.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 |
Mitogen-activated protein kinase 14 | 360 | Mus musculus | Mutation(s): 1  Gene Names: Mapk14, Crk1, Csbp1, Csbp2 EC: 2.7.11.24 | ||
UniProt | |||||
Find proteins for P47811 (Mus musculus) Explore P47811  Go to UniProtKB:  P47811 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P47811 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
SB4 Query on SB4 | C [auth A] | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE C18 H19 F N6 VSPFURGQAYMVAN-UHFFFAOYSA-N | |||
OG2 (Subject of Investigation/LOI) Query on OG2 | B [auth A] | 1-(1-adamantyl)-3-ethyl-guanidine C13 H23 N3 VGBFQSVFIIHEDN-DNSLJTBWSA-N | |||
SO4 Query on SO4 | I [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
CA Query on CA | D [auth A], E [auth A], F [auth A], G [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N | |||
CL Query on CL | H [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Length ( Å ) | Angle ( ˚ ) |
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a = 80.732 | α = 90 |
b = 102.7 | β = 90 |
c = 103.733 | γ = 90 |
Software Name | Purpose |
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DIALS | data collection |
PHENIX | refinement |
DIALS | data reduction |
DIALS | data scaling |
PHASER | phasing |
Funding Organization | Location | Grant Number |
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British Heart Foundation | United Kingdom | SP/14/2/30922, FS/14/29/30896 |
Medical Research Council (MRC, United Kingdom) | United Kingdom | MC_PC_17164 |