MolNFT v1 · #139466 · protein
Crystal structure of EGFR 696-1022 T790M in complex with GO6976
5XGM · Epidermal growth factor receptor: “Crystal structure of EGFR 696-1022 T790M in complex with GO6976”. X-ray diffraction, 1 ligand (85X), 2 pockets (best druggability 0.55). MolNFT v1 #139466 on GenesisL1: 3D structure, binding sites…
- PDB
- 5XGM
- Type
- protein
- Length
- 288 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
- 85X
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 288 | 39% helix, 17% strand | P00533 |
Ligands and binding sites
- 85X · 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole · 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 | 225 | 0.55 | 0.78 | 27 | 85X |
| 2 | 175 | 0.52 | 0.78 | 23 | empty |
Compared structures
- 5XGM · Crystal structure of EGFR 696-1022 T790M in complex with Go6976 · 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 5XGM · PDBe 5XGM · UniProt P00533
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