5D41
EGFR kinase domain in complex with mutant selective allosteric inhibitor
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 | 5 |
Details | binding site for residue MG A 1101 |
Chain | Residue |
A | ASN842 |
A | ASP855 |
A | ANP1102 |
A | HOH1212 |
A | HOH1304 |
site_id | AC2 |
Number of Residues | 28 |
Details | binding site for residue ANP A 1102 |
Chain | Residue |
A | VAL726 |
A | ALA743 |
A | LYS745 |
A | MET790 |
A | GLN791 |
A | MET793 |
A | CYS797 |
A | ASP837 |
A | ARG841 |
A | ASN842 |
A | LEU844 |
A | ASP855 |
A | MG1101 |
A | 57N1103 |
A | HOH1212 |
A | HOH1217 |
A | HOH1218 |
A | HOH1246 |
A | HOH1283 |
A | HOH1285 |
A | HOH1294 |
A | HOH1304 |
A | HOH1330 |
A | HOH1338 |
A | SER720 |
A | GLY721 |
A | ALA722 |
A | GLY724 |
site_id | AC3 |
Number of Residues | 13 |
Details | binding site for residue 57N A 1103 |
Chain | Residue |
A | ALA743 |
A | ILE744 |
A | LYS745 |
A | ILE759 |
A | MET766 |
A | CYS775 |
A | LEU777 |
A | LEU788 |
A | MET790 |
A | ASP855 |
A | PHE856 |
A | LEU858 |
A | ANP1102 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue MG B 2000 |
Chain | Residue |
B | ASN842 |
B | ASP855 |
B | ANP2001 |
B | HOH2192 |
site_id | AC5 |
Number of Residues | 22 |
Details | binding site for residue ANP B 2001 |
Chain | Residue |
B | GLY719 |
B | SER720 |
B | GLY721 |
B | ALA722 |
B | GLY724 |
B | VAL726 |
B | ALA743 |
B | LYS745 |
B | MET790 |
B | GLN791 |
B | MET793 |
B | CYS797 |
B | ASP837 |
B | ARG841 |
B | ASN842 |
B | ASP855 |
B | MG2000 |
B | HOH2101 |
B | HOH2145 |
B | HOH2147 |
B | HOH2192 |
B | HOH2211 |
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: Phosphothreonine; by PKD/PRKD1 => ECO:0000269|PubMed:10523301, ECO:0000269|PubMed:16083266, ECO:0000269|PubMed:3138233, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | SER693 | |
B | SER693 |
site_id | SWS_FT_FI8 |
Number of Residues | 2 |
Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:3138233, ECO:0007744|PubMed:18691976 |
Chain | Residue | Details |
A | SER695 | |
B | SER695 |
site_id | SWS_FT_FI9 |
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_FI10 |
Number of Residues | 2 |
Details | MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:23774213 |
Chain | Residue | Details |
A | TYR869 | |
B | TYR869 |
site_id | SWS_FT_FI11 |
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_FI12 |
Number of Residues | 2 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648 |
Chain | Residue | Details |
A | SER995 | |
B | SER995 |
site_id | SWS_FT_FI13 |
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_FI14 |
Number of Residues | 2 |
Details | MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:19563760, ECO:0000269|PubMed:23774213 |
Chain | Residue | Details |
A | TYR1016 | |
B | TYR1016 |
site_id | SWS_FT_FI15 |
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_FI16 |
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_FI17 |
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 |