Ligand: 919 (Rebastinib)

Total number of chains: 11
Active chains: 0
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 9 81.8% 3QRJB
DFGout None 2 18.2% 5G6VB

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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
CMGC CDK16 CDK16_HUMAN 5G6VA 2.2 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaoii APEdist_iooo 919 Type2 163 - 474 0 None S319D Cyclin-dependent kinase 16
CMGC CDK16 CDK16_HUMAN 5G6VB 2.2 Inactive DFGout‑None in-in out-out nonTYR APEdihe_aaoii APEdist_nnno 919 Type2 163 - 475 0 None S319D Cyclin-dependent kinase 16
CMGC PRP4K PRP4K_HUMAN 6CNHA 2.0 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaoii APEdist_nnno 919 Type2 657 - 1005 0 None None Serine/threonine-protein kinase PRP4 homolog
TKL LRRK2 LRRK2_HUMAN 8U8BA 3.7 Inactive DFGout‑BBAminus in-out none-out nonTYR APEdihe_aaioi APEdist_nnno 919 Type2 558 - 2527 0 None None Leucine-rich repeat serine/threonine-protein kinase 2
TKL LRRK2 LRRK2_HUMAN 8U8BB 3.7 Inactive DFGout‑BBAminus in-out none-out nonTYR APEdihe_aaioi APEdist_nnno 919 Type2 558 - 2527 0 None None Leucine-rich repeat serine/threonine-protein kinase 2
TYR ABL1 ABL1_HUMAN 3QRJA 1.82 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 919 Type2 234 - 496 0 None T315I Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3QRJB 1.82 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 919 Type2 233 - 497 0 None T315I Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3QRIA 2.1 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 919 Type2 229 - 498 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3QRIB 2.1 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 919 Type2 232 - 498 0 None None Tyrosine-protein kinase ABL1
TYR TEK TIE2_HUMAN 6MWEA 2.05 Inactive DFGout‑BBAminus in-in out-out TYR APEdihe_oooai APEdist_aaao 919 Type2 816 - 1122 0 None None Angiopoietin-1 receptor
TYR TEK TIE2_HUMAN 6MWEB 2.05 Inactive DFGout‑BBAminus in-in out-out TYR APEdihe_oooai APEdist_aaao 919 Type2 816 - 1122 0 None None Angiopoietin-1 receptor

Ligand: 919 (Rebastinib)

Total number of chains: 11
Active chains: 0
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 9 81.8% 3QRJB
DFGout None 2 18.2% 5G6VB

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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
CMGC CDK16 CDK16_HUMAN 5G6VA 2.2 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaoii APEdist_iooo 919 Type2 163 - 474 0 None S319D Cyclin-dependent kinase 16 Homo sapiens
CMGC CDK16 CDK16_HUMAN 5G6VB 2.2 Inactive DFGout‑None in-in out-out nonTYR APEdihe_aaoii APEdist_nnno 919 Type2 163 - 475 0 None S319D Cyclin-dependent kinase 16 Homo sapiens
CMGC PRP4K PRP4K_HUMAN 6CNHA 2.0 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaoii APEdist_nnno 919 Type2 657 - 1005 0 None None Serine/threonine-protein kinase PRP4 homolog Homo sapiens
TKL LRRK2 LRRK2_HUMAN 8U8BA 3.7 Inactive DFGout‑BBAminus in-out none-out nonTYR APEdihe_aaioi APEdist_nnno 919 Type2 558 - 2527 0 None None Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens
TKL LRRK2 LRRK2_HUMAN 8U8BB 3.7 Inactive DFGout‑BBAminus in-out none-out nonTYR APEdihe_aaioi APEdist_nnno 919 Type2 558 - 2527 0 None None Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens
TYR ABL1 ABL1_HUMAN 3QRJA 1.82 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 919 Type2 234 - 496 0 None T315I Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 3QRJB 1.82 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 919 Type2 233 - 497 0 None T315I Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 3QRIA 2.1 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 919 Type2 229 - 498 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 3QRIB 2.1 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 919 Type2 232 - 498 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR TEK TIE2_HUMAN 6MWEA 2.05 Inactive DFGout‑BBAminus in-in out-out TYR APEdihe_oooai APEdist_aaao 919 Type2 816 - 1122 0 None None Angiopoietin-1 receptor Homo sapiens
TYR TEK TIE2_HUMAN 6MWEB 2.05 Inactive DFGout‑BBAminus in-in out-out TYR APEdihe_oooai APEdist_aaao 919 Type2 816 - 1122 0 None None Angiopoietin-1 receptor Homo sapiens

Ligand: 919 (Rebastinib)

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