MolNFT v1 · #154061 · protein
Crystal structure of EGFR kinase domain in complex with compound 78
6JZ0 · Epidermal growth factor receptor: “Crystal structure of EGFR kinase domain in complex with compound 78”. X-ray diffraction, 1 ligand (CKO), 1 pocket (best druggability 0.66). MolNFT v1 #154061 on GenesisL1: 3D structure, binding…
- PDB
- 6JZ0
- Type
- protein
- Length
- 311 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
- CKO
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 311 | 37% helix, 19% strand | P00533 |
Ligands and binding sites
- CKO · E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 444 | 0.66 | 0.78 | 53 | CKO |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6JZ0 · Crystal structure of EGFR kinase domain in complex with compound 78 · 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 0.90
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 6JZ0 · PDBe 6JZ0 · UniProt P00533
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