Ligand: 6ZZ (Ribociclib, Kisqali)

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9BLHA
DFGin BLBplus 1 33.3% 5L2TA

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CAMK CAMK2D KCC2D_HUMAN 9BLHA 2.35 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 6ZZ Type1 11 - 301 0 None None Calcium/calmodulin-dependent protein kinase type II subunit delta
CAMK CAMK2D KCC2D_HUMAN 9BLHB 2.35 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 6ZZ Type1 11 - 298 0 None None Calcium/calmodulin-dependent protein kinase type II subunit delta
CMGC CDK6 CDK6_HUMAN 5L2TA 2.37 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaiii APEdist_nnno 6ZZ Type1 11 - 301 0 None None Cyclin-dependent kinase 6

Ligand: 6ZZ (Ribociclib, Kisqali)

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9BLHA
DFGin BLBplus 1 33.3% 5L2TA

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CAMK CAMK2D KCC2D_HUMAN 9BLHA 2.35 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 6ZZ Type1 11 - 301 0 None None Calcium/calmodulin-dependent protein kinase type II subunit delta Homo sapiens
CAMK CAMK2D KCC2D_HUMAN 9BLHB 2.35 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 6ZZ Type1 11 - 298 0 None None Calcium/calmodulin-dependent protein kinase type II subunit delta Homo sapiens
CMGC CDK6 CDK6_HUMAN 5L2TA 2.37 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaiii APEdist_nnno 6ZZ Type1 11 - 301 0 None None Cyclin-dependent kinase 6 Homo sapiens

Ligand: 6ZZ (Ribociclib, Kisqali)

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_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism