Ligand: 4ST

Total number of chains: 4
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 1YVJA

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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 ABL1 ABL1_HUMAN 2HZ4A 2.8 Inactive DFGin‑BLAminus in-out in-in TYR APEdihe_iiiai APEdist_aaai 4ST Allosteric 234 - 500 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 2HZ4C 2.8 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 4ST Allosteric 234 - 500 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 2HZ4B 2.8 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 4ST Type1 233 - 498 0 None None Tyrosine-protein kinase ABL1
TYR JAK3-2 JAK3_HUMAN 1YVJA 2.55 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_oiiai APEdist_aaao 4ST Type1 814 - 1103 0 PTR980,PTR981 None Tyrosine-protein kinase JAK3

Ligand: 4ST

Total number of chains: 8
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 50.0% 1YVJA
DFGin None 4 50.0% 2J0JA

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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 PTK2 FAK1_CHICK 2J0MB 2.8 Inactive DFGin‑None in-in none-out TYR APEdihe_nniai APEdist_aaao 4ST Type1 414 - 686 0 None None Focal adhesion kinase 1 Gallus gallus
TYR PTK2 FAK1_CHICK 2J0JA 2.8 Inactive DFGin‑None in-in out-out TYR APEdihe_nniai APEdist_aaao 4ST Type1 35 - 686 0 None None Focal adhesion kinase 1 Gallus gallus
TYR PTK2 FAK1_CHICK 2J0KA 3.0 Inactive DFGin‑None in-in none-out TYR APEdihe_niiai APEdist_aaao 4ST Type1 35 - 686 0 None None Focal adhesion kinase 1 Gallus gallus
TYR PTK2 FAK1_CHICK 2J0KB 3.0 Inactive DFGin‑None in-in out-out TYR APEdihe_nniai APEdist_aaao 4ST Type1 35 - 686 0 None None Focal adhesion kinase 1 Gallus gallus
TYR ABL1 ABL1_HUMAN 2HZ4A 2.8 Inactive DFGin‑BLAminus in-out in-in TYR APEdihe_iiiai APEdist_aaai 4ST Allosteric 234 - 500 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 2HZ4C 2.8 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 4ST Allosteric 234 - 500 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 2HZ4B 2.8 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 4ST Type1 233 - 498 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR JAK3-2 JAK3_HUMAN 1YVJA 2.55 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_oiiai APEdist_aaao 4ST Type1 814 - 1103 0 PTR980,PTR981 None Tyrosine-protein kinase JAK3 Homo sapiens

Ligand: 4ST

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 4 100.0% 2J0JA

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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 PTK2 FAK1_CHICK 2J0MB 2.8 Inactive DFGin‑None in-in none-out TYR APEdihe_nniai APEdist_aaao 4ST Type1 414 - 686 0 None None Focal adhesion kinase 1 Gallus gallus
TYR PTK2 FAK1_CHICK 2J0JA 2.8 Inactive DFGin‑None in-in out-out TYR APEdihe_nniai APEdist_aaao 4ST Type1 35 - 686 0 None None Focal adhesion kinase 1 Gallus gallus
TYR PTK2 FAK1_CHICK 2J0KA 3.0 Inactive DFGin‑None in-in none-out TYR APEdihe_niiai APEdist_aaao 4ST Type1 35 - 686 0 None None Focal adhesion kinase 1 Gallus gallus
TYR PTK2 FAK1_CHICK 2J0KB 3.0 Inactive DFGin‑None in-in out-out TYR APEdihe_nniai APEdist_aaao 4ST Type1 35 - 686 0 None None Focal adhesion kinase 1 Gallus gallus