Ligand: 38O (Dovitinib)

Total number of chains: 14
Active chains: 0
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 7 50.0% 5A46B
DFGin None 4 28.6% 7QQ6B
None None 2 14.3% 5OWQB
DFGin BLAminus 1 7.1% 7AKGA

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CAMK STK17B ST17B_HUMAN 7AKGA 2.08 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_iioo 38O Type1 25 - 309 0 None None Serine/threonine-protein kinase 17B
OTHER EIF2AK4-2 E2AK4_HUMAN 7QQ6A 2.8 Inactive DFGin‑None out-out none-out nonTYR APEdihe_aaooi APEdist_nnno 38O Type1 584 - 1004 0 None D848N eIF-2-alpha kinase GCN2
OTHER EIF2AK4-2 E2AK4_HUMAN 7QQ6B 2.8 Inactive DFGin‑None out-out none-out nonTYR APEdihe_aaooi APEdist_oooo 38O Type1 584 - 1006 0 None D848N eIF-2-alpha kinase GCN2
OTHER EIF2AK4-2 E2AK4_HUMAN 7QQ6C 2.8 Inactive DFGin‑None out-out out-out nonTYR APEdihe_aaooi APEdist_nnno 38O Type1 584 - 1006 0 None D848N eIF-2-alpha kinase GCN2
OTHER EIF2AK4-2 E2AK4_HUMAN 7QQ6D 2.8 Inactive DFGin‑None out-out out-none nonTYR APEdihe_aannn APEdist_nnnn 38O Type1 584 - 1006 0 None D848N eIF-2-alpha kinase GCN2
STE STK10 STK10_HUMAN 5OWQA 2.7 Inactive None‑None out-none none-none nonTYR APEdihe_aannn APEdist_nnnn 38O Type1 30 - 317 0 None None Serine/threonine-protein kinase 10
STE STK10 STK10_HUMAN 5OWQB 2.7 Inactive None‑None out-out none-none nonTYR APEdihe_aannn APEdist_nnnn 38O Type1 32 - 317 0 None None Serine/threonine-protein kinase 10
TYR FGFR1 FGFR1_HUMAN 5AM7A 1.957 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 764 0 None V561M Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 5AM7B 1.957 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 762 0 None V561M Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 5AM6A 1.96 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 765 0 None None Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 5AM6B 1.96 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 762 0 None None Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 5A46A 2.63 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 464 - 766 0 None None Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 5A46B 2.63 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 766 0 None None Fibroblast growth factor receptor 1
TYR FGFR4 FGFR4_HUMAN 4TYIA 3.4 Inactive DFGin‑BLAplus in-out out-out TYR APEdihe_nniai APEdist_aaao 38O Type1 447 - 750 0 None None Fibroblast growth factor receptor 4

Ligand: 38O (Dovitinib)

Total number of chains: 14
Active chains: 0
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 7 50.0% 5A46B
DFGin None 4 28.6% 7QQ6B
None None 2 14.3% 5OWQB
DFGin BLAminus 1 7.1% 7AKGA

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CAMK STK17B ST17B_HUMAN 7AKGA 2.08 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_iioo 38O Type1 25 - 309 0 None None Serine/threonine-protein kinase 17B Homo sapiens
OTHER EIF2AK4-2 E2AK4_HUMAN 7QQ6A 2.8 Inactive DFGin‑None out-out none-out nonTYR APEdihe_aaooi APEdist_nnno 38O Type1 584 - 1004 0 None D848N eIF-2-alpha kinase GCN2 Homo sapiens
OTHER EIF2AK4-2 E2AK4_HUMAN 7QQ6B 2.8 Inactive DFGin‑None out-out none-out nonTYR APEdihe_aaooi APEdist_oooo 38O Type1 584 - 1006 0 None D848N eIF-2-alpha kinase GCN2 Homo sapiens
OTHER EIF2AK4-2 E2AK4_HUMAN 7QQ6C 2.8 Inactive DFGin‑None out-out out-out nonTYR APEdihe_aaooi APEdist_nnno 38O Type1 584 - 1006 0 None D848N eIF-2-alpha kinase GCN2 Homo sapiens
OTHER EIF2AK4-2 E2AK4_HUMAN 7QQ6D 2.8 Inactive DFGin‑None out-out out-none nonTYR APEdihe_aannn APEdist_nnnn 38O Type1 584 - 1006 0 None D848N eIF-2-alpha kinase GCN2 Homo sapiens
STE STK10 STK10_HUMAN 5OWQA 2.7 Inactive None‑None out-none none-none nonTYR APEdihe_aannn APEdist_nnnn 38O Type1 30 - 317 0 None None Serine/threonine-protein kinase 10 Homo sapiens
STE STK10 STK10_HUMAN 5OWQB 2.7 Inactive None‑None out-out none-none nonTYR APEdihe_aannn APEdist_nnnn 38O Type1 32 - 317 0 None None Serine/threonine-protein kinase 10 Homo sapiens
TYR FGFR1 FGFR1_HUMAN 5AM7A 1.957 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 764 0 None V561M Fibroblast growth factor receptor 1 Homo sapiens
TYR FGFR1 FGFR1_HUMAN 5AM7B 1.957 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 762 0 None V561M Fibroblast growth factor receptor 1 Homo sapiens
TYR FGFR1 FGFR1_HUMAN 5AM6A 1.96 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 765 0 None None Fibroblast growth factor receptor 1 Homo sapiens
TYR FGFR1 FGFR1_HUMAN 5AM6B 1.96 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 762 0 None None Fibroblast growth factor receptor 1 Homo sapiens
TYR FGFR1 FGFR1_HUMAN 5A46A 2.63 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 464 - 766 0 None None Fibroblast growth factor receptor 1 Homo sapiens
TYR FGFR1 FGFR1_HUMAN 5A46B 2.63 Inactive DFGin‑BLAplus in-in out-out TYR APEdihe_iioai APEdist_aaao 38O Type1 458 - 766 0 None None Fibroblast growth factor receptor 1 Homo sapiens
TYR FGFR4 FGFR4_HUMAN 4TYIA 3.4 Inactive DFGin‑BLAplus in-out out-out TYR APEdihe_nniai APEdist_aaao 38O Type1 447 - 750 0 None None Fibroblast growth factor receptor 4 Homo sapiens

Ligand: 38O (Dovitinib)

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_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism