MolNFT v1 · #120837 · protein
EGFR kinase domain mutant "tmlr" with 3-azetidinyl azaindazole compound 21
5HCZ · Epidermal growth factor receptor: “EGFR kinase domain mutant "tmlr" with 3-azetidinyl azaindazole compound 21”. X-ray diffraction, 2 ligands (60E, SO4), 2 pockets (best druggability 0.66). MolNFT v1 #120837 on GenesisL1: 3D…
- PDB
- 5HCZ
- Type
- protein
- Length
- 300 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
- 60E, SO4
- Pockets
- 2 · best druggability 0.66
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 | 300 | 39% helix, 18% strand | P00533 |
Ligands and binding sites
- 60E · 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol · ligand · chains A
- SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 364 | 0.66 | 0.80 | 47 | 60E |
| 2 | 168 | 0.45 | 0.74 | 21 | empty |
Compared structures
- 5HCZ · EGFR kinase domain mutant TMLR" with 3-azetidinyl azaindazole compound 21" · 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 5HCZ · PDBe 5HCZ · UniProt P00533
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