Download MendeleyJAK2 JH2 Binders
Puleo, D.E., Schlessinger, J.To be published.
6BSS
JAK2 JH2 in complex with NU6102
- PDB DOI: https://doi.org/10.2210/pdb6BSS/pdb
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Spodoptera frugiperda
- Mutation(s): Yes
- Deposited: 2017-12-04 Released: 2018-08-15
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS), Gilead Sciences
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.235
- R-Value Work: 0.192
- R-Value Observed: 0.194
Starting Model: experimental
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This is version 1.3 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 |
| Tyrosine-protein kinase JAK2 | 289 | Homo sapiens | Mutation(s): 3 Gene Names: JAK2 EC: 2.7.10.2 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for O60674 (Homo sapiens) Explore O60674 Go to UniProtKB: O60674 | |||||
PHAROS: O60674 GTEx: ENSG00000096968 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O60674 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 4SP (Subject of Investigation/LOI) Query on 4SP | C [auth A] | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE C18 H22 N6 O3 S OWXORKPNCHJYOF-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | B [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.235
- R-Value Work: 0.192
- R-Value Observed: 0.194
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.927 | α = 90 |
| b = 57.658 | β = 110.52 |
| c = 61.056 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-08-15 Deposition Author(s): Puleo, D.E., Schlessinger, J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | GM007324 |
| Gilead Sciences | United States | YG-003-13 |
Revision History (Full details and data files)
- Version 1.0: 2018-08-15
Type: Initial release - Version 1.1: 2019-02-20
Changes: Author supporting evidence, Data collection - Version 1.2: 2020-01-01
Changes: Author supporting evidence - Version 1.3: 2023-10-04
Changes: Data collection, Database references, Refinement description
