6Z4B
Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004713 | molecular_function | protein tyrosine kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0004713 | molecular_function | protein tyrosine kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue Q6K A 1101 |
| Chain | Residue |
| A | LEU718 |
| A | CYS797 |
| A | ASP800 |
| A | LEU844 |
| A | ASP855 |
| A | 9LL1102 |
| A | GLY719 |
| A | VAL726 |
| A | ALA743 |
| A | MET790 |
| A | LEU792 |
| A | MET793 |
| A | PRO794 |
| A | GLY796 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue 9LL A 1102 |
| Chain | Residue |
| A | ALA743 |
| A | LYS745 |
| A | CYS775 |
| A | ARG776 |
| A | LEU777 |
| A | LEU788 |
| A | ASP855 |
| A | PHE856 |
| A | Q6K1101 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 1103 |
| Chain | Residue |
| A | ARG705 |
| A | HOH1213 |
| B | TYR813 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 1104 |
| Chain | Residue |
| A | LYS846 |
| A | HIS850 |
| A | LYS852 |
| A | HOH1201 |
| B | GLN791 |
| B | LYS852 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 1105 |
| Chain | Residue |
| A | LYS846 |
| A | THR847 |
| A | HIS850 |
| A | HOH1201 |
| B | ARG776 |
| B | LEU778 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 1106 |
| Chain | Residue |
| A | ARG803 |
| A | LYS913 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 1107 |
| Chain | Residue |
| A | PHE712 |
| A | LYS714 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 1108 |
| Chain | Residue |
| A | GLN935 |
| A | THR940 |
| A | ILE941 |
| B | LYS970 |
| B | TYR978 |
| site_id | AC9 |
| Number of Residues | 13 |
| Details | binding site for residue 9LL B 1102 |
| Chain | Residue |
| B | VAL726 |
| B | ALA743 |
| B | LYS745 |
| B | ILE759 |
| B | GLU762 |
| B | MET766 |
| B | CYS775 |
| B | ARG776 |
| B | LEU777 |
| B | LEU788 |
| B | ASP855 |
| B | PHE856 |
| B | Q6K1101 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 1103 |
| Chain | Residue |
| B | ASP956 |
| B | ARG958 |
| B | GLU963 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 1104 |
| Chain | Residue |
| A | ARG776 |
| B | THR847 |
| B | HIS850 |
| site_id | AD3 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 1105 |
| Chain | Residue |
| B | PHE712 |
| B | LYS714 |
| site_id | AD4 |
| Number of Residues | 1 |
| Details | binding site for residue SO4 B 1106 |
| Chain | Residue |
| B | ARG803 |
| site_id | AD5 |
| Number of Residues | 17 |
| Details | binding site for Di-peptide Q6K B 1101 and CYS B 797 |
| Chain | Residue |
| B | LEU718 |
| B | VAL726 |
| B | ALA743 |
| B | MET790 |
| B | LEU792 |
| B | MET793 |
| B | PRO794 |
| B | GLY796 |
| B | LEU798 |
| B | LEU799 |
| B | ASP800 |
| B | TYR801 |
| B | ARG841 |
| B | VAL843 |
| B | LEU844 |
| B | ASP855 |
| B | 9LL1102 |
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 | LEU833-VAL845 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028 |
| Chain | Residue | Details |
| A | ASP837 | |
| B | ASP837 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| 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 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| 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 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| 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 | MET790 | |
| B | MET790 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| 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 | ASP855 | |
| B | ASP855 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | SITE: Important for interaction with PIK3C2B |
| Chain | Residue | Details |
| A | TYR1016 | |
| B | TYR1016 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:3138233, ECO:0007744|PubMed:18691976 |
| Chain | Residue | Details |
| B | SER695 | |
| A | SER695 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-(2-hydroxyisobutyryl)lysine => ECO:0000269|PubMed:29192674 |
| Chain | Residue | Details |
| A | LYS745 | |
| B | LYS745 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:23774213 |
| Chain | Residue | Details |
| A | TYR869 | |
| B | TYR869 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:16083266, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | SER991 | |
| B | SER991 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648 |
| Chain | Residue | Details |
| A | SER995 | |
| B | SER995 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:19563760, ECO:0007744|PubMed:18669648 |
| Chain | Residue | Details |
| A | TYR998 | |
| B | TYR998 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:19563760, ECO:0000269|PubMed:23774213 |
| Chain | Residue | Details |
| B | TYR1016 | |
| A | TYR1016 |
| site_id | SWS_FT_FI14 |
| Number of Residues | 8 |
| 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 | |
| A | LYS737 | |
| A | LYS754 | |
| A | LYS867 | |
| B | LYS716 | |
| B | LYS737 | |
| B | LYS754 | |
| B | LYS867 |
| site_id | SWS_FT_FI15 |
| Number of Residues | 6 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144 |
| Chain | Residue | Details |
| A | LYS929 | |
| A | LYS970 | |
| B | LYS929 | |
| B | LYS970 |
| site_id | SWS_FT_FI16 |
| Number of Residues | 4 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:33996800 |
| Chain | Residue | Details |
| A | LYS757 | |
| A | LYS960 | |
| B | LYS757 | |
| B | LYS960 |
