Download MendeleyCrystal Structure of the ERK2 complexed with E71
Kang, Y.N., Stuckey, J.A., Xie, X.To be published.
4FV9
Crystal Structure of the ERK2 complexed with E71
- PDB DOI: https://doi.org/10.2210/pdb4FV9/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2012-06-29 Released: 2012-08-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.11 Å
- R-Value Free: 0.238
- R-Value Work: 0.199
- R-Value Observed: 0.201
This is version 1.2 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 1 | 360 | Homo sapiens | Mutation(s): 0 Gene Names: ERK2, MAPK1, PRKM1, PRKM2 EC: 2.7.11.24 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P28482 (Homo sapiens) Explore P28482 Go to UniProtKB: P28482 | |||||
PHAROS: P28482 GTEx: ENSG00000100030 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P28482 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| E71 Query on E71 | B [auth A] | 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine C21 H12 F2 N4 O PDSVBDXSUMHLAP-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A], E [auth A], F [auth A], G [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| EDO Query on EDO | H [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-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: 2.11 Å
- R-Value Free: 0.238
- R-Value Work: 0.199
- R-Value Observed: 0.201
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.96 | α = 90 |
| b = 70.66 | β = 90 |
| c = 120 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| BUSTER-TNT | refinement |
| PDB_EXTRACT | data extraction |
| BUSTER | refinement |
Entry History
Deposition Data
- Released Date: 2012-08-29 Deposition Author(s): Kang, Y.N., Stuckey, J.A., Xie, X.
Revision History (Full details and data files)
- Version 1.0: 2012-08-29
Type: Initial release - Version 1.1: 2014-09-24
Changes: Structure summary - Version 1.2: 2024-10-16
Changes: Data collection, Database references, Derived calculations, Structure summary
