Download MendeleyConformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
Namboodiri, H.V., Springman, E.B., Karpusas, M., Bukhtiyarova, M., Ramcharan, J.To be published.
3MPA
Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
- PDB DOI: https://doi.org/10.2210/pdb3MPA/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Mutation(s): Yes
- Deposited: 2010-04-26 Released: 2010-09-15
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.289
- R-Value Work: 0.230
- R-Value Observed: 0.235
Starting Model: experimental
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This is version 1.4 of the entry. See complete history.
Literature
To be published.
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 | Homo sapiens | Mutation(s): 1 Gene Names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2 EC: 2.7.11.24 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q16539 (Homo sapiens) Explore Q16539 Go to UniProtKB: Q16539 | |||||
PHAROS: Q16539 GTEx: ENSG00000112062 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q16539 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SB2 Query on SB2 | B [auth A] | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE C21 H16 F N3 O S CDMGBJANTYXAIV-MHZLTWQESA-N |  | ||
| BOG Query on BOG | C [auth A] | octyl beta-D-glucopyranoside C14 H28 O6 HEGSGKPQLMEBJL-RKQHYHRCSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.289
- R-Value Work: 0.230
- R-Value Observed: 0.235
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 65.471 | ¦Á = 90 |
| b = 74.144 | ¦Â = 90 |
| c = 77.184 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| ADSC | data collection |
| AMoRE | phasing |
| REFMAC | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2010-09-15 Deposition Author(s): Namboodiri, H.V., Karpusas, M., Bukhtiyarova, M., Springman, E.B.
Revision History (Full details and data files)
- Version 1.0: 2010-09-15
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.3: 2021-10-06
Changes: Database references, Structure summary - Version 1.4: 2023-09-06
Changes: Data collection, Refinement description
