Ligand: 5BS

Total number of chains: 7
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 57.1% 5DH3A
DFGin ABAminus 1 14.3% 5DH3B
DFGin None 1 14.3% 6BRWA
None None 1 14.3% 8A5JB

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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
STE STK3 STK3_HUMAN 5DH3B 2.468 Inactive DFGin‑ABAminus out-in in-in nonTYR APEdihe_aaiii APEdist_iiii 5BS Type1 18 - 302 0 TPO174,TPO180 None Serine/threonine-protein kinase 3
STE STK3 STK3_HUMAN 8A66A 1.901 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5BS Type1 24 - 303 0 TPO180 None Serine/threonine-protein kinase 3
STE STK3 STK3_HUMAN 8A66B 1.901 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5BS Type1 18 - 304 0 TPO174,TPO180,TPO268 None Serine/threonine-protein kinase 3
STE STK3 STK3_HUMAN 5DH3A 2.468 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii 5BS Type1 19 - 307 0 TPO174,TPO180 None Serine/threonine-protein kinase 3
STE STK4 STK4_HUMAN 8A5JA 2.123 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 5BS Type1 28 - 309 0 TPO177,TPO183 None Serine/threonine-protein kinase 4
STE STK4 STK4_HUMAN 8A5JB 2.123 Inactive None‑None none-none in-in nonTYR APEdihe_aaiii APEdist_iiii 5BS Type1 32 - 309 0 TPO177,TPO183 None Serine/threonine-protein kinase 4
TYR JAK2-1 JAK2_HUMAN 6BRWA 2.031 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 5BS Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2

Ligand: 5BS

Total number of chains: 7
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 57.1% 5DH3A
DFGin ABAminus 1 14.3% 5DH3B
DFGin None 1 14.3% 6BRWA
None None 1 14.3% 8A5JB

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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
STE STK3 STK3_HUMAN 5DH3B 2.468 Inactive DFGin‑ABAminus out-in in-in nonTYR APEdihe_aaiii APEdist_iiii 5BS Type1 18 - 302 0 TPO174,TPO180 None Serine/threonine-protein kinase 3 Homo sapiens
STE STK3 STK3_HUMAN 8A66A 1.901 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5BS Type1 24 - 303 0 TPO180 None Serine/threonine-protein kinase 3 Homo sapiens
STE STK3 STK3_HUMAN 8A66B 1.901 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5BS Type1 18 - 304 0 TPO174,TPO180,TPO268 None Serine/threonine-protein kinase 3 Homo sapiens
STE STK3 STK3_HUMAN 5DH3A 2.468 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii 5BS Type1 19 - 307 0 TPO174,TPO180 None Serine/threonine-protein kinase 3 Homo sapiens
STE STK4 STK4_HUMAN 8A5JA 2.123 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 5BS Type1 28 - 309 0 TPO177,TPO183 None Serine/threonine-protein kinase 4 Homo sapiens
STE STK4 STK4_HUMAN 8A5JB 2.123 Inactive None‑None none-none in-in nonTYR APEdihe_aaiii APEdist_iiii 5BS Type1 32 - 309 0 TPO177,TPO183 None Serine/threonine-protein kinase 4 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 6BRWA 2.031 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 5BS Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens

Ligand: 5BS

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