Ligand: M77 (Fasudil)

Total number of chains: 5
Active chains: 4
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 5VEFA
All chains - renumbered by
Uniprot PDB Alignment
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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
AGC CDC42BPB MRCKB_HUMAN 3TKUA 2.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77, M77 Type1, Allosteric 2 - 415 0 None None Serine/threonine-protein kinase MRCK beta
AGC CDC42BPB MRCKB_HUMAN 3TKUB 2.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77, M77 Type1, Allosteric 2 - 415 0 None None Serine/threonine-protein kinase MRCK beta
AGC ROCK1 ROCK1_HUMAN 2ESMA 3.2 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 6 - 405 0 None None Rho-associated protein kinase 1
AGC ROCK1 ROCK1_HUMAN 2ESMB 3.2 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_iioo M77 Type1 6 - 402 0 None None Rho-associated protein kinase 1
STE PAK4 PAK4_HUMAN 5VEFA 1.752 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 300 - 589 0 SEP474 None Serine/threonine-protein kinase PAK 4

Ligand: M77 (Fasudil)

Total number of chains: 18
Active chains: 7
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 9 50.0% 5LCPA
DFGin BLAminus 9 50.0% 6EM2A
All chains - renumbered by
Uniprot PDB Alignment
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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
AGC PRKACA KAPCA_BOVIN 2GNIA 2.27 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 11 - 351 0 SEP11,TPO198,SEP339 L50I,V124M,E128D,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC PRKACA KAPCA_BOVIN 1Q8WA 2.2 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 15 - 351 0 SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC ROCK2 ROCK2_BOVIN 2F2UA 2.4 Inactive DFGin‑ABAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii M77 Type1 27 - 417 0 None None Rho-associated protein kinase 2 Bos taurus
AGC ROCK2 ROCK2_BOVIN 2F2UB 2.4 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_oioo M77 Type1 27 - 417 0 None None Rho-associated protein kinase 2 Bos taurus
AGC PRKACA KAPCA_CRIGR 5NW8A 2.086 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 12 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 5LCPA 1.433 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 5O0EA 1.5 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 5OK3A 1.588 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6ERWA 1.89 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6I2AA 1.75 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6I2CA 1.82 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 12 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6EM2A 1.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 12 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6YNAA 1.47 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC CDC42BPB MRCKB_HUMAN 3TKUA 2.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77, M77 Type1, Allosteric 2 - 415 0 None None Serine/threonine-protein kinase MRCK beta Homo sapiens
AGC CDC42BPB MRCKB_HUMAN 3TKUB 2.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77, M77 Type1, Allosteric 2 - 415 0 None None Serine/threonine-protein kinase MRCK beta Homo sapiens
AGC ROCK1 ROCK1_HUMAN 2ESMA 3.2 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 6 - 405 0 None None Rho-associated protein kinase 1 Homo sapiens
AGC ROCK1 ROCK1_HUMAN 2ESMB 3.2 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_iioo M77 Type1 6 - 402 0 None None Rho-associated protein kinase 1 Homo sapiens
STE PAK4 PAK4_HUMAN 5VEFA 1.752 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 300 - 589 0 SEP474 None Serine/threonine-protein kinase PAK 4 Homo sapiens

Ligand: M77 (Fasudil)

Total number of chains: 13
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 9 69.2% 5LCPA
DFGin BLAminus 4 30.8% 6EM2A
All chains - renumbered by
Uniprot PDB Alignment
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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
AGC PRKACA KAPCA_BOVIN 2GNIA 2.27 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 11 - 351 0 SEP11,TPO198,SEP339 L50I,V124M,E128D,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC PRKACA KAPCA_BOVIN 1Q8WA 2.2 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 15 - 351 0 SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Bos taurus
AGC ROCK2 ROCK2_BOVIN 2F2UA 2.4 Inactive DFGin‑ABAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii M77 Type1 27 - 417 0 None None Rho-associated protein kinase 2 Bos taurus
AGC ROCK2 ROCK2_BOVIN 2F2UB 2.4 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_oioo M77 Type1 27 - 417 0 None None Rho-associated protein kinase 2 Bos taurus
AGC PRKACA KAPCA_CRIGR 5NW8A 2.086 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 12 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 5LCPA 1.433 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 5O0EA 1.5 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 5OK3A 1.588 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6ERWA 1.89 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6I2AA 1.75 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6I2CA 1.82 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 12 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6EM2A 1.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 12 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
AGC PRKACA KAPCA_CRIGR 6YNAA 1.47 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii M77 Type1 1 - 351 0 SEP11,SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus