MolNFT v1 · #142117 · protein
Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003
5ZTO · Epidermal growth factor receptor: “Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003”. X-ray diffraction, 2 ligands (9JO, CL), 3 pockets (best druggability 0.57). MolNFT v1 #142117 on GenesisL1: 3D structure…
- PDB
- 5ZTO
- Type
- protein
- Length
- 294 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epidermal growth factor receptor
- EC
- 2.7.10.1
- UniProt
- P00533
- Ligands
- 9JO, CL
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 294 | 39% helix, 16% strand | P00533 |
Ligands and binding sites
- 9JO · N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.57 | 0.78 | 23 | 9JO |
| 2 | 90 | 0.42 | 0.78 | 17 | empty |
| 3 | 106 | 0.37 | 0.74 | 19 | empty |
Compared structures
- 5ZTO · Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003 · the same entry in another collection · chain A against A, TM-score 1.00
- P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 5ZTO · PDBe 5ZTO · UniProt P00533
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.