Ligand: 4SP

Total number of chains: 15
Active chains: 6
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 12 80.0% 1H1SA
DFGin None 2 13.3% 6BSSA
None None 1 6.7% 2C6OA

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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 CDK1 CDK1_HUMAN 5LQFA 2.06 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_nnno 4SP Type1 1 - 289 0 None None Cyclin-dependent kinase 1
CMGC CDK1 CDK1_HUMAN 5LQFD 2.06 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aanoi APEdist_nnnn 4SP Type1 1 - 289 0 None None Cyclin-dependent kinase 1
CMGC CDK2 CDK2_HUMAN 2IW9A 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 297 0 TPO160 K89T Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 2IW9C 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 296 0 TPO160 K89T Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EORA 2.2 Inactive DFGin‑BLAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 297 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EORC 2.2 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 4SP Type1 1 - 294 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 1H1SA 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 1H1SC 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOKA 2.57 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 4SP Type1 1 - 297 0 TPO160 H84S,Q85M,K89D Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOKC 2.57 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 4SP Type1 1 - 297 0 TPO160 H84S,Q85M,K89D Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 2IW8A 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 297 0 TPO160 F82H,L83V,H84D Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 2IW8C 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 296 0 TPO160 F82H,L83V,H84D Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 2C6OA 2.1 Inactive None‑None out-out out-out nonTYR APEdihe_aaioi APEdist_oooo 4SP Type1 1 - 296 0 None None Cyclin-dependent kinase 2
NEK NEK2 NEK2_HUMAN 5M57A 2.3 Inactive DFGin‑None out-none none-out nonTYR APEdihe_aaioo APEdist_nnno 4SP Type1 3 - 271 0 None None Serine/threonine-protein kinase Nek2
TYR JAK2-1 JAK2_HUMAN 6BSSA 2.1 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 4SP Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2

Ligand: 4SP

Total number of chains: 15
Active chains: 6
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 12 80.0% 1H1SA
DFGin None 2 13.3% 6BSSA
None None 1 6.7% 2C6OA

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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 CDK1 CDK1_HUMAN 5LQFA 2.06 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_nnno 4SP Type1 1 - 289 0 None None Cyclin-dependent kinase 1 Homo sapiens
CMGC CDK1 CDK1_HUMAN 5LQFD 2.06 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aanoi APEdist_nnnn 4SP Type1 1 - 289 0 None None Cyclin-dependent kinase 1 Homo sapiens
CMGC CDK2 CDK2_HUMAN 2IW9A 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 297 0 TPO160 K89T Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 2IW9C 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 296 0 TPO160 K89T Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 4EORA 2.2 Inactive DFGin‑BLAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 297 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 4EORC 2.2 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 4SP Type1 1 - 294 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 1H1SA 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 1H1SC 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 4EOKA 2.57 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 4SP Type1 1 - 297 0 TPO160 H84S,Q85M,K89D Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 4EOKC 2.57 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 4SP Type1 1 - 297 0 TPO160 H84S,Q85M,K89D Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 2IW8A 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 297 0 TPO160 F82H,L83V,H84D Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 2IW8C 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4SP Type1 1 - 296 0 TPO160 F82H,L83V,H84D Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 2C6OA 2.1 Inactive None‑None out-out out-out nonTYR APEdihe_aaioi APEdist_oooo 4SP Type1 1 - 296 0 None None Cyclin-dependent kinase 2 Homo sapiens
NEK NEK2 NEK2_HUMAN 5M57A 2.3 Inactive DFGin‑None out-none none-out nonTYR APEdihe_aaioo APEdist_nnno 4SP Type1 3 - 271 0 None None Serine/threonine-protein kinase Nek2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 6BSSA 2.1 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 4SP Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens

Ligand: 4SP

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