Ligand: BX1

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% 9NFSA
DFGin None 1 33.3% 2XKFA

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_label DFG-Asp_rotamer_label ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
AGC PRKACA KAPCA_HUMAN 9NFSA 2.45 Active DFGin‑BLAminus DFGAsp-rot-in in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1BX1 Type1 4 - 351 0 TPO198 None cAMP-dependent protein kinase catalytic subunit alpha
AGC PRKACA KAPCA_HUMAN 9NFSB 2.45 Active DFGin‑BLAminus DFGAsp-rot-in in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1BX1 Type1 4 - 351 0 TPO198 None cAMP-dependent protein kinase catalytic subunit alpha
NEK NEK2 NEK2_HUMAN 2XKFA 2.35 Inactive DFGin‑None DFGAsp-rot-in out-out none-out nonTYR APEdihe_aaioo APEdist_nnno BX1 Type1 3 - 271 0 None None Serine/threonine-protein kinase Nek2

Ligand: BX1

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% 9NFSA
DFGin None 1 33.3% 2XKFA

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_label DFG-Asp_rotamer_label ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
AGC PRKACA KAPCA_HUMAN 9NFSA 2.45 Active DFGin‑BLAminus DFGAsp-rot-in in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1BX1 Type1 4 - 351 0 TPO198 None cAMP-dependent protein kinase catalytic subunit alpha Homo sapiens
AGC PRKACA KAPCA_HUMAN 9NFSB 2.45 Active DFGin‑BLAminus DFGAsp-rot-in in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1BX1 Type1 4 - 351 0 TPO198 None cAMP-dependent protein kinase catalytic subunit alpha Homo sapiens
NEK NEK2 NEK2_HUMAN 2XKFA 2.35 Inactive DFGin‑None DFGAsp-rot-in out-out none-out nonTYR APEdihe_aaioo APEdist_nnno BX1 Type1 3 - 271 0 None None Serine/threonine-protein kinase Nek2 Homo sapiens

Ligand: BX1

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