Ligand: 2V9 (Lestaurtinib)

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 100.0% 8BPWA

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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
AGC PKN1 PKN1_HUMAN 4OTGA 2.6 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 2V9 Type1 605 - 940 0 TPO774,SEP916 None Serine/threonine-protein kinase N1
TYR JAK2-2 JAK2_HUMAN 8BPWA 1.8 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 2V9 Type1 840 - 1132 0 PTR1007,PTR1008 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 8BPWB 1.8 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 2V9 Type1 840 - 1132 0 PTR1007,PTR1008 None Tyrosine-protein kinase JAK2

Ligand: 2V9 (Lestaurtinib)

Total number of chains: 4
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 75.0% 8BPWA
DFGin BLAminus 1 25.0% 5WNJA

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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
AGC PKN1 PKN1_HUMAN 4OTGA 2.6 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 2V9 Type1 605 - 940 0 TPO774,SEP916 None Serine/threonine-protein kinase N1 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 8BPWA 1.8 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 2V9 Type1 840 - 1132 0 PTR1007,PTR1008 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 8BPWB 1.8 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 2V9 Type1 840 - 1132 0 PTR1007,PTR1008 None Tyrosine-protein kinase JAK2 Homo sapiens
TKL RIPK4 RIPK4_MOUSE 5WNJA 2.55 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_nnoo 2V9 Type1 10 - 289 0 None D143N Receptor-interacting serine/threonine-protein kinase 4 Mus musculus

Ligand: 2V9 (Lestaurtinib)

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 5WNJA

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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
TKL RIPK4 RIPK4_MOUSE 5WNJA 2.55 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_nnoo 2V9 Type1 10 - 289 0 None D143N Receptor-interacting serine/threonine-protein kinase 4 Mus musculus