MolNFT v1 · #189699 · protein
The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892
7VRE · Epidermal growth factor receptor: “The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892”. X-ray diffraction, 1 ligand (7VH), 2 pockets (best druggability 0.61). MolNFT v1 #189699 on GenesisL1: 3D structure, binding…
- PDB
- 7VRE
- Type
- protein
- Length
- 312 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
- 7VH
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 312 | 39% helix, 18% strand | P00533 |
Ligands and binding sites
- 7VH · 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 360 | 0.61 | 0.77 | 34 | 7VH |
| 2 | 173 | 0.53 | 0.79 | 26 | empty |
Compared structures
- 7VRE · The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 · 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 0.95
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 7VRE · PDBe 7VRE · UniProt P00533
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