MolNFT v2 · #183852 · protein
EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02
7JXP: “EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02”. X-ray diffraction at 2.16, 4 ligands (JBJ, ANP, YY3). MolNFT v2 #183852 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JXP
- Type
- protein
- Length
- 1,783 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.16
- Source
- Homo sapiens
- UniProt
- P00533
- Ligands
- JBJ, ANP, YY3, MG
Structure
x-ray diffraction · resolution 2.16 · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, F | — | protein | 294 | — | P00533 |
| A, B | — | protein | 308 | — | P00533 |
| C | — | protein | 292 | — | P00533 |
| E | — | protein | 287 | — | P00533 |
Ligands and binding sites
- JBJ · (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide · ligand · 6 copies · chains D, A, C, F, B, E
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 4 copies · chains D, A, F, B
- YY3 · N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide · ligand · 2 copies · chains C, E
- MG · Magnesium ion · metal · 4 copies · chains D, A, F, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7JXP · EGFR kinase (T790M/V948R) in complex with osimertinib and jbj-04-125- 02 · the same entry in another collection · chain F against F, TM-score 1.00
- P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain E against A, TM-score 0.90
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P00533
- Elsewhere: RCSB PDB 7JXP · PDBe 7JXP · UniProt P00533
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