Ligand: P48 (Milciclib)

Total number of chains: 4
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 5VD1A

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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 CDK2 CDK2_HUMAN 2WIHA 2.5 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iooi P48 Type1 1 - 298 0 None None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 2WIHC 2.5 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii P48 Type1 1 - 298 0 None None Cyclin-dependent kinase 2
OTHER PKMYT1 PMYT1_HUMAN 5VD1A 1.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi P48 Type1 77 - 361 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
OTHER WEE1 WEE1_HUMAN 5VC6A 2.0 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi P48 Type1 293 - 571 0 None None Wee1-like protein kinase

Ligand: P48 (Milciclib)

Total number of chains: 4
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 5VD1A

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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 CDK2 CDK2_HUMAN 2WIHA 2.5 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iooi P48 Type1 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 2WIHC 2.5 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii P48 Type1 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
OTHER PKMYT1 PMYT1_HUMAN 5VD1A 1.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi P48 Type1 77 - 361 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Homo sapiens
OTHER WEE1 WEE1_HUMAN 5VC6A 2.0 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi P48 Type1 293 - 571 0 None None Wee1-like protein kinase Homo sapiens

Ligand: P48 (Milciclib)

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