3P78
P38 inhibitor-bound
- PDB DOI: https://doi.org/10.2210/pdb3P78/pdb
- Classification: transferase/transferase inhibitor
- Organism(s): Mus musculus
- Expression System: Escherichia coli
- Mutation(s): No 
- Deposited: 2010-10-12 Released: 2011-10-12 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.313 
- R-Value Work: 0.241 
- R-Value Observed: 0.247 
This is version 1.5 of the entry. See complete history. 
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 | 366 | Mus musculus | Mutation(s): 0  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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Small Molecules
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
P78 Query on P78 | C [auth A] | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea C24 H27 N3 O4 S2 AKQQWIZLJKLJED-UHFFFAOYSA-N | |||
BOG Query on BOG | B [auth A] | octyl beta-D-glucopyranoside C14 H28 O6 HEGSGKPQLMEBJL-RKQHYHRCSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.313 
- R-Value Work: 0.241 
- R-Value Observed: 0.247 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 68.81 | α = 90 |
b = 70.99 | β = 90 |
c = 76.05 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
CNS | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
CNS | phasing |
HKL-2000 | data collection |
Entry History 
Deposition Data
- Released Date: 2011-10-12  Deposition Author(s): Moffett, K.K., Namboodiri, H.
Revision History (Full details and data files)
- Version 1.0: 2011-10-12
Type: Initial release - Version 1.1: 2011-11-09
Changes: Database references - Version 1.2: 2012-01-25
Changes: Database references - Version 1.3: 2019-07-17
Changes: Data collection, Refinement description - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Database references, Derived calculations, Structure summary - Version 1.5: 2024-02-21
Changes: Data collection, Database references, Structure summary