Ligand: Y27

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 2ETRA

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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
AGC ROCK1 ROCK1_HUMAN 2ETRA 2.6 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 6 - 405 0 None None Rho-associated protein kinase 1
AGC ROCK1 ROCK1_HUMAN 2ETRB 2.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_iioo Y27 Type1 6 - 402 0 None None Rho-associated protein kinase 1

Ligand: Y27

Total number of chains: 6
Active chains: 4
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 83.3% 1Q8TA
DFGin ABAminus 1 16.7% 2H9VA

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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
AGC PRKACA KAPCA_BOVIN 2GNFA 2.28 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 11 - 351 0 TPO198,SEP339 L50I,V124M,E128D,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC PRKACA KAPCA_BOVIN 2GNJA 2.28 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 15 - 351 0 TPO198,SEP339 L50I,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC PRKACA KAPCA_BOVIN 1Q8TA 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 11 - 351 0 SEP11,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC ROCK2 ROCK2_BOVIN 2H9VA 3.1 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 25 - 417 0 None None Rho-associated protein kinase 2 Bos taurus
AGC ROCK1 ROCK1_HUMAN 2ETRA 2.6 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 6 - 405 0 None None Rho-associated protein kinase 1 Homo sapiens
AGC ROCK1 ROCK1_HUMAN 2ETRB 2.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_iioo Y27 Type1 6 - 402 0 None None Rho-associated protein kinase 1 Homo sapiens

Ligand: Y27

Total number of chains: 4
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 1Q8TA
DFGin ABAminus 1 25.0% 2H9VA

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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
AGC PRKACA KAPCA_BOVIN 2GNFA 2.28 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 11 - 351 0 TPO198,SEP339 L50I,V124M,E128D,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC PRKACA KAPCA_BOVIN 2GNJA 2.28 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 15 - 351 0 TPO198,SEP339 L50I,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC PRKACA KAPCA_BOVIN 1Q8TA 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 11 - 351 0 SEP11,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC ROCK2 ROCK2_BOVIN 2H9VA 3.1 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii Y27 Type1 25 - 417 0 None None Rho-associated protein kinase 2 Bos taurus