Download MendeleyFragment KCL_914 in complex with MAP kinase p38-alpha
De Nicola, G.F., Nichols, C.E.To be published.
6Y7Z
Fragment KCL_914 in complex with MAP kinase p38-alpha
- PDB DOI: https://doi.org/10.2210/pdb6Y7Z/pdb
- Classification: TRANSFERASE
- Organism(s): Mus musculus
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2020-03-02 Released: 2020-03-11
- Funding Organization(s): British Heart Foundation, Medical Research Council (MRC, United Kingdom)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.35 ?
- R-Value Free: 0.221
- R-Value Work: 0.205
- R-Value Observed: 0.206
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| 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 | |||||
| |||||
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| 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 |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.35 ?
- R-Value Free: 0.221
- R-Value Work: 0.205
- R-Value Observed: 0.206
- Space Group: I 2 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 80.732 | α = 90 |
| b = 102.7 | β = 90 |
| c = 103.733 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DIALS | data collection |
| PHENIX | refinement |
| DIALS | data reduction |
| DIALS | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-03-11 Deposition Author(s): De Nicola, G.F., Nichols, C.E.
| Funding Organization | Location | Grant Number |
|---|---|---|
| British Heart Foundation | United Kingdom | SP/14/2/30922, FS/14/29/30896 |
| Medical Research Council (MRC, United Kingdom) | United Kingdom | MC_PC_17164 |
Revision History (Full details and data files)
- Version 1.0: 2020-03-11
Type: Initial release - Version 1.1: 2024-01-24
Changes: Data collection, Database references, Derived calculations, Refinement description
