MolNFT v1 · #180390 · protein
Active conformation of EGFR kinase in complex with bi-4020
7KXZ · Epidermal growth factor receptor: “Active conformation of EGFR kinase in complex with bi-4020”. X-ray diffraction, 2 ligands (XA4, CL), 3 pockets (best druggability 0.64). MolNFT v1 #180390 on GenesisL1: 3D structure, binding sites…
- PDB
- 7KXZ
- Type
- protein
- Length
- 299 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
- XA4, CL
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 299 | 39% helix, 19% strand | P00533 |
Ligands and binding sites
- XA4 · (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl) methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno) pyrazolo[3',4':2,3][1,5,10, 12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one · 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 | 241 | 0.64 | 0.82 | 25 | XA4 |
| 2 | 141 | 0.46 | 0.77 | 20 | empty |
| 3 | 76 | 0.30 | 0.73 | 12 | empty |
Compared structures
- 7KXZ · Active conformation of EGFR kinase in complex with BI-4020 · 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 0.97
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 7KXZ · PDBe 7KXZ · UniProt P00533
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