8YGW

The Crystal Structure of MAPK11 from Biortus

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.30 Å
  • R-Value Free: 0.278 
  • R-Value Work: 0.205 

Starting Model: experimental
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Literature

The Crystal Structure of MAPK11 from Biortus.

Wang, F., Cheng, W., Yuan, Z., Lin, D., Guo, S.

To be published.

Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Mitogen-activated protein kinase 11364Homo sapiensMutation(s): 0 
Gene Names: MAPK11, PRKM11, SAPK2, SAPK2B
EC: 2.7.11.24
UniProt & NIH Common Fund Data Resources
Find proteins for Q15759 (Homo sapiens)
Explore Q15759 
Go to UniProtKB:  Q15759
PHAROS:  Q15759
GTEx:  ENSG00000185386 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ15759
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
B96 (Subject of Investigation/LOI)
Query on B96
Download Ideal Coordinates CCD File 
B [auth A]1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA
C31 H37 N5 O3
MVCOAUNKQVWQHZ-UHFFFAOYSA-N
Binding Affinity Annotations 
IDSourceBinding Affinity
B96 BindingDB:  8YGW Kd: min: 7.2, max: 1500 (nM) from 3 assay(s)
IC50: min: 7, max: 1.00e+4 (nM) from 5 assay(s)
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.30 Å
  • R-Value Free: 0.278 
  • R-Value Work: 0.205 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 39.061α = 90
b = 61.86β = 90
c = 147.437γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing

Structure Validation

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Ligand Structure Quality Assessment 


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Entry History & Funding Information

Deposition Data

Funding OrganizationLocationGrant Number
Not funded--

Revision History  (Full details and data files)

  • Version 1.0: 2024-03-13
    Type: Initial release