MolNFT v1 · #169720 · protein

EGFR(T790M/V948R) in complex with AZD9291 and DDC4002

6XL4: “EGFR(T790M/V948R) in complex with AZD9291 and DDC4002”. X-ray diffraction, 4 ligands (NQ1, Q6K, ANP). MolNFT v1 #169720 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6XL4
Type: protein
Length: 1,187 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P00533
Ligands: NQ1, Q6K, ANP, MG

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	293	—	P00533
B	—	protein	292	—	P00533
C	—	protein	302	—	P00533
D	—	protein	300	—	P00533

Ligands and binding sites

NQ1 · 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1, 4]diazepin-11-one · ligand · 3 copies · chains A, B, D
Q6K · ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide · ligand · 2 copies · chains A, B
ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains C, D
MG · Magnesium ion · metal · chains D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

6XL4 · EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 · the same entry in another collection · chain D against D, 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 0.91

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 6XL4 · PDBe 6XL4 · UniProt P00533

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