MolNFT v1 · #164991 · protein
Crystal structure of EGFR T790M/V948R in complex with covalent pyrrolopyrimidine 18B
6TFV: “Crystal structure of EGFR T790M/V948R in complex with covalent pyrrolopyrimidine 18B”. X-ray diffraction, 3 ligands (N7Q, SO4, CL). MolNFT v1 #164991 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TFV
- Type
- protein
- Length
- 537 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P00533
- Ligands
- N7Q, SO4, CL
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 269 | — | P00533 |
| B | — | protein | 268 | — | P00533 |
Ligands and binding sites
- N7Q · ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy) phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- CL · Chloride ion · ion · chains B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6TFV · Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b · 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 0.96
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 6TFV · PDBe 6TFV · UniProt P00533
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