Ligand: FB8

Total number of chains: 5
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 6GU3A
DFGin BLBminus 1 20.0% 6GUHA
DFGin BLBplus 1 20.0% 6GU7A

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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 6GU3A 2.65 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo FB8 Type1 1 - 289 0 None None Cyclin-dependent kinase 1
CMGC CDK1 CDK1_HUMAN 6GU7A 2.75 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooi APEdist_nnno FB8 Type1 1 - 293 0 None None Cyclin-dependent kinase 1
CMGC CDK2 CDK2_HUMAN 6GUEC 1.99 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii FB8 Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 6GUEA 1.99 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii FB8 Type1 1 - 298 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 6GUHA 1.5 Inactive DFGin‑BLBminus out-out none-out nonTYR APEdihe_aaioi APEdist_oooo FB8 Type1 1 - 298 0 None None Cyclin-dependent kinase 2

Ligand: FB8

Total number of chains: 6
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 66.7% 6GU3A
DFGin BLBminus 1 16.7% 6GUHA
DFGin BLBplus 1 16.7% 6GU7A

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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 6GU3A 2.65 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo FB8 Type1 1 - 289 0 None None Cyclin-dependent kinase 1 Homo sapiens
CMGC CDK1 CDK1_HUMAN 6GU7A 2.75 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooi APEdist_nnno FB8 Type1 1 - 293 0 None None Cyclin-dependent kinase 1 Homo sapiens
CMGC CDK2 CDK2_HUMAN 6GUEC 1.99 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii FB8 Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 6GUEA 1.99 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii FB8 Type1 1 - 298 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 6GUHA 1.5 Inactive DFGin‑BLBminus out-out none-out nonTYR APEdihe_aaioi APEdist_oooo FB8 Type1 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
CMGC GSK3 A4HXQ3_LEIIN 7S6UA 1.74 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii FB8 Type1 1 - 353 0 PTR186 None Glycogen synthase kinase 3 Leishmania infantum

Ligand: FB8

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 7S6UA

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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 GSK3 A4HXQ3_LEIIN 7S6UA 1.74 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii FB8 Type1 1 - 353 0 PTR186 None Glycogen synthase kinase 3 Leishmania infantum