Ligand: HKI (Neratinib)

Total number of chains: 3
Spatial label Dihedral label Number of Chains Representative
DFGin BLAminus 1 3W2QA
DFGin BLBplus 1 2JIVB
DFGin None 1 2JIVA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv

Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
TYR EGFR EGFR_HUMAN 3W2QA 2.2 Inactive DFGin‑BLAminus out-out in-in HKI Type1.5_Front 698 - 1017 0 None T790M,L858R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 2JIVB 3.5 Inactive DFGin‑BLBplus out-out out-out HKI Type1.5_Back 699 - 982 11 None T790M Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 2JIVA 3.5 Inactive DFGin‑None out-out out-none HKI Type1.5_Back 700 - 984 14 None T790M Epidermal growth factor receptor

Ligand: HKI (Neratinib)

Total number of chains: 3
Spatial label Dihedral label Number of Chains Representative
DFGin BLAminus 1 3W2QA
DFGin BLBplus 1 2JIVB
DFGin None 1 2JIVA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv

Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
TYR EGFR EGFR_HUMAN 3W2QA 2.2 Inactive DFGin‑BLAminus out-out in-in HKI Type1.5_Front 698 - 1017 0 None T790M,L858R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 2JIVB 3.5 Inactive DFGin‑BLBplus out-out out-out HKI Type1.5_Back 699 - 982 11 None T790M Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 2JIVA 3.5 Inactive DFGin‑None out-out out-none HKI Type1.5_Back 700 - 984 14 None T790M Epidermal growth factor receptor Homo sapiens

Ligand: HKI (Neratinib)

Total number of chains: 0
Spatial label Dihedral label Number of Chains Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv

Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism