Download MendeleyJAK2 JH2 Binders
Puleo, D.E., Schlessinger, J.To be published.
6DRW
JAK2 JH1 in complex with JNJ-7706621 (Crystal Form 2)
- PDB DOI: https://doi.org/10.2210/pdb6DRW/pdb
- Classification: TRANSFERASE/TRANSFERASE Inhibitor
- Organism(s): Homo sapiens
- Expression System: Spodoptera frugiperda
- Mutation(s): No
- Deposited: 2018-06-13 Released: 2018-07-18
- 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: 2.30 ?
- R-Value Free: 0.255
- R-Value Work: 0.214
- R-Value Observed: 0.216
Starting Model: experimental
View more details
This is version 1.4 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 | 316 | Homo sapiens | Mutation(s): 0 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 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SKE Query on SKE | B [auth A] | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide C15 H12 F2 N6 O3 S KDKUVYLMPJIGKA-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| PTR Query on PTR | A | L-PEPTIDE LINKING | C9 H12 N O6 P |  | TYR |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 ?
- R-Value Free: 0.255
- R-Value Work: 0.214
- R-Value Observed: 0.216
- Space Group: C 1 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 107.867 | ¦Á = 90 |
| b = 69.042 | ¦Â = 99.07 |
| c = 50.05 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-07-18 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: 2018-07-18
Type: Initial release - Version 1.1: 2020-01-01
Changes: Author supporting evidence - Version 1.2: 2023-10-11
Changes: Data collection, Database references, Refinement description - Version 1.3: 2023-11-15
Changes: Data collection - Version 1.4: 2024-10-23
Changes: Structure summary
