Download MendeleyCrystal structure of ERK2 in complex with an adenosine derivative
Gelin, M., Pochet, S., Labesse, G.To be published.
6FJ0
Crystal structure of ERK2 in complex with an adenosine derivative
- PDB DOI: https://doi.org/10.2210/pdb6FJ0/pdb
- Classification: TRANSFERASE
- Organism(s): Rattus norvegicus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-01-19 Released: 2019-01-30
- Funding Organization(s): FRISBI
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.66 Å
- R-Value Free: 0.194
- R-Value Work: 0.166
- R-Value Observed: 0.167
Starting Model: experimental
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This is version 1.2 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 1 | 364 | Rattus norvegicus | Mutation(s): 0 Gene Names: Mapk1, Erk2, Mapk, Prkm1 EC: 2.7.11.24 |  | |
UniProt | |||||
Find proteins for P63086 (Rattus norvegicus) Explore P63086 Go to UniProtKB: P63086 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P63086 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| A3N Query on A3N | G [auth A] | 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine C13 H16 N6 O3 WYZJLWUBEMXBJJ-QYVSTXNMSA-N |  | ||
| SO4 Query on SO4 | F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| DMS Query on DMS | B [auth A], C [auth A], D [auth A], E [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| CME Query on CME | A | L-PEPTIDE LINKING | C5 H11 N O3 S2 |  | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.66 Å
- R-Value Free: 0.194
- R-Value Work: 0.166
- R-Value Observed: 0.167
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 48.55 | α = 90 |
| b = 69.79 | β = 108.63 |
| c = 59.37 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| SCALA | data scaling |
| PDB_EXTRACT | data extraction |
| iMOSFLM | data reduction |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-01-30 Deposition Author(s): Gelin, M., Labesse, G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| FRISBI | France | ANR-10-INSB-05 |
Revision History (Full details and data files)
- Version 1.0: 2019-01-30
Type: Initial release - Version 1.1: 2024-01-17
Changes: Data collection, Database references, Refinement description - Version 1.2: 2024-10-09
Changes: Structure summary
