Ligand: 5P8 (Lorlatinib)

Total number of chains: 6
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 6 100.0% 4UXLA

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
TYR ALK ALK_HUMAN 4CLJA 1.66 Inactive DFGin‑ABAminus in-in out-out TYR APEdihe_oiiai APEdist_aaai 5P8 Type1 1094 - 1402 0 None L1196M ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AA9A 1.93 Inactive DFGin‑ABAminus in-out out-out TYR APEdihe_oiiai APEdist_aaao 5P8 Type1 1093 - 1402 0 None L1198F ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AA8A 1.86 Inactive DFGin‑ABAminus in-out out-out TYR APEdihe_oiiai APEdist_aaao 5P8 Type1 1093 - 1402 0 None C1156Y,L1198F ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 4CLIA 2.05 Inactive DFGin‑ABAminus in-out out-out TYR APEdihe_oiiai APEdist_aaai 5P8 Type1 1093 - 1401 0 None None ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5A9UA 1.6 Inactive DFGin‑ABAminus in-out out-out TYR APEdihe_oiiai APEdist_aaao 5P8 Type1 1093 - 1402 0 None C1156Y ALK tyrosine kinase receptor
TYR ROS1 ROS1_HUMAN 4UXLA 2.4 Inactive DFGin‑ABAminus in-out in-out TYR APEdihe_ooiai APEdist_aaao 5P8 Type1 1934 - 2230 0 None None Proto-oncogene tyrosine-protein kinase ROS

Ligand: 5P8 (Lorlatinib)

Total number of chains: 6
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 6 100.0% 4UXLA

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
TYR ALK ALK_HUMAN 4CLJA 1.66 Inactive DFGin‑ABAminus in-in out-out TYR APEdihe_oiiai APEdist_aaai 5P8 Type1 1094 - 1402 0 None L1196M ALK tyrosine kinase receptor Homo sapiens
TYR ALK ALK_HUMAN 5AA9A 1.93 Inactive DFGin‑ABAminus in-out out-out TYR APEdihe_oiiai APEdist_aaao 5P8 Type1 1093 - 1402 0 None L1198F ALK tyrosine kinase receptor Homo sapiens
TYR ALK ALK_HUMAN 5AA8A 1.86 Inactive DFGin‑ABAminus in-out out-out TYR APEdihe_oiiai APEdist_aaao 5P8 Type1 1093 - 1402 0 None C1156Y,L1198F ALK tyrosine kinase receptor Homo sapiens
TYR ALK ALK_HUMAN 4CLIA 2.05 Inactive DFGin‑ABAminus in-out out-out TYR APEdihe_oiiai APEdist_aaai 5P8 Type1 1093 - 1401 0 None None ALK tyrosine kinase receptor Homo sapiens
TYR ALK ALK_HUMAN 5A9UA 1.6 Inactive DFGin‑ABAminus in-out out-out TYR APEdihe_oiiai APEdist_aaao 5P8 Type1 1093 - 1402 0 None C1156Y ALK tyrosine kinase receptor Homo sapiens
TYR ROS1 ROS1_HUMAN 4UXLA 2.4 Inactive DFGin‑ABAminus in-out in-out TYR APEdihe_ooiai APEdist_aaao 5P8 Type1 1934 - 2230 0 None None Proto-oncogene tyrosine-protein kinase ROS Homo sapiens

Ligand: 5P8 (Lorlatinib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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