8PO2
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
Functional Information from PROSITE/UniProt
site_id | PS00107 |
Number of Residues | 28 |
Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGSGAFGTVYkGlwipegekvkip......VAIK |
Chain | Residue | Details |
A | LEU718-LYS745 |
site_id | PS00109 |
Number of Residues | 13 |
Details | PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. LVHrDLAARNVLV |
Chain | Residue | Details |
A | LEU836-VAL848 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 3 |
Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028 |
Chain | Residue | Details |
A | ASP840 | |
B | ASP840 | |
D | ASP-165 |
site_id | SWS_FT_FI2 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000269|PubMed:19563760, ECO:0007744|PDB:2GS7, ECO:0007744|PDB:3GT8, ECO:0007744|PDB:4ZSE, ECO:0007744|PDB:5CNN, ECO:0007744|PDB:5CNO, ECO:0007744|PDB:5D41 |
Chain | Residue | Details |
A | LEU718 | |
B | LEU718 | |
D | LEU-287 |
site_id | SWS_FT_FI3 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000269|PubMed:17349580, ECO:0000269|PubMed:19563760, ECO:0007744|PDB:2EB3, ECO:0007744|PDB:2GS7, ECO:0007744|PDB:2ITN, ECO:0007744|PDB:3GT8, ECO:0007744|PDB:3VJN, ECO:0007744|PDB:3VJO, ECO:0007744|PDB:4RIW, ECO:0007744|PDB:4RIY, ECO:0007744|PDB:4ZSE, ECO:0007744|PDB:5CNN, ECO:0007744|PDB:5CNO, ECO:0007744|PDB:5D41 |
Chain | Residue | Details |
A | LYS745 | |
B | LYS745 | |
D | LYS-260 |
site_id | SWS_FT_FI4 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000269|PubMed:17349580, ECO:0000269|PubMed:19563760, ECO:0007744|PDB:2EB3, ECO:0007744|PDB:2GS7, ECO:0007744|PDB:2ITN, ECO:0007744|PDB:2ITV, ECO:0007744|PDB:2ITX, ECO:0007744|PDB:3GT8, ECO:0007744|PDB:3VJN, ECO:0007744|PDB:3VJO, ECO:0007744|PDB:4RIW, ECO:0007744|PDB:4RIX, ECO:0007744|PDB:4RIY, ECO:0007744|PDB:4ZSE, ECO:0007744|PDB:5CNN, ECO:0007744|PDB:5CNO, ECO:0007744|PDB:5D41 |
Chain | Residue | Details |
A | THR793 | |
B | THR793 | |
D | THR-212 |
site_id | SWS_FT_FI5 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000269|PubMed:17349580, ECO:0000269|PubMed:19563760, ECO:0007744|PDB:2EB3, ECO:0007744|PDB:2GS7, ECO:0007744|PDB:2ITN, ECO:0007744|PDB:2ITV, ECO:0007744|PDB:2ITX, ECO:0007744|PDB:3GT8, ECO:0007744|PDB:3VJN, ECO:0007744|PDB:4RIW, ECO:0007744|PDB:4RIX, ECO:0007744|PDB:4RIY, ECO:0007744|PDB:4ZSE, ECO:0007744|PDB:5CNN, ECO:0007744|PDB:5CNO, ECO:0007744|PDB:5D41 |
Chain | Residue | Details |
A | ASP858 | |
B | ASP858 | |
D | ASP-147 |
site_id | SWS_FT_FI6 |
Number of Residues | 3 |
Details | SITE: Important for interaction with PIK3C2B |
Chain | Residue | Details |
A | TYR1019 | |
B | TYR1019 | |
D | TYR14 |
site_id | SWS_FT_FI7 |
Number of Residues | 3 |
Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:3138233, ECO:0007744|PubMed:18691976 |
Chain | Residue | Details |
A | SER695 | |
B | SER695 | |
D | SER-310 |
site_id | SWS_FT_FI8 |
Number of Residues | 3 |
Details | MOD_RES: N6-(2-hydroxyisobutyryl)lysine => ECO:0000269|PubMed:29192674 |
Chain | Residue | Details |
A | LYS745 | |
B | LYS745 | |
D | LYS-260 |
site_id | SWS_FT_FI9 |
Number of Residues | 3 |
Details | MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:23774213 |
Chain | Residue | Details |
A | TYR872 | |
B | TYR872 | |
D | TYR-133 |
site_id | SWS_FT_FI10 |
Number of Residues | 3 |
Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:16083266, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | SER994 | |
B | SER994 | |
D | SER-11 |
site_id | SWS_FT_FI11 |
Number of Residues | 3 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648 |
Chain | Residue | Details |
A | SER998 | |
B | SER998 | |
D | SER-7 |
site_id | SWS_FT_FI12 |
Number of Residues | 3 |
Details | MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:19563760, ECO:0007744|PubMed:18669648 |
Chain | Residue | Details |
A | TYR1001 | |
B | TYR1001 | |
D | TYR-4 |
site_id | SWS_FT_FI13 |
Number of Residues | 3 |
Details | MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:19563760, ECO:0000269|PubMed:23774213 |
Chain | Residue | Details |
A | TYR1019 | |
B | TYR1019 | |
D | TYR14 |
site_id | SWS_FT_FI14 |
Number of Residues | 12 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144, ECO:0000269|PubMed:33996800 |
Chain | Residue | Details |
A | LYS716 | |
D | LYS-268 | |
D | LYS-251 | |
D | LYS-135 | |
A | LYS737 | |
A | LYS754 | |
A | LYS870 | |
B | LYS716 | |
B | LYS737 | |
B | LYS754 | |
B | LYS870 | |
D | LYS-289 |
site_id | SWS_FT_FI15 |
Number of Residues | 9 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144 |
Chain | Residue | Details |
A | LYS932 | |
A | LYS973 | |
B | LYS932 | |
B | LYS973 | |
D | LYS-73 | |
D | LYS-32 |
site_id | SWS_FT_FI16 |
Number of Residues | 6 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:33996800 |
Chain | Residue | Details |
A | LYS757 | |
A | LYS963 | |
B | LYS757 | |
B | LYS963 | |
D | LYS-248 | |
D | LYS-42 |