Ligand: 2AI

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6Q7KA

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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 MAPK1 MK01_HUMAN 6Q7KA 1.84 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii 2AI Type1 8 - 357 0 None None Mitogen-activated protein kinase 1
TKL ACVR1 ACVR1_HUMAN 5S7NB 1.3 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiii APEdist_iooi LU8, 2AI Type1, Allosteric 207 - 499 0 None Q207D Activin receptor type-1
TKL ACVR1 ACVR1_HUMAN 5S7NA 1.3 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiii APEdist_nooi LU8, LU8, LU8, 2AI Type1, Allosteric, Allosteric, Allosteric 201 - 499 0 None Q207D Activin receptor type-1

Ligand: 2AI

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6Q7KA

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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 MAPK1 MK01_HUMAN 6Q7KA 1.84 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii 2AI Type1 8 - 357 0 None None Mitogen-activated protein kinase 1 Homo sapiens
TKL ACVR1 ACVR1_HUMAN 5S7NB 1.3 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiii APEdist_iooi LU8, 2AI Type1, Allosteric 207 - 499 0 None Q207D Activin receptor type-1 Homo sapiens
TKL ACVR1 ACVR1_HUMAN 5S7NA 1.3 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiii APEdist_nooi LU8, LU8, LU8, 2AI Type1, Allosteric, Allosteric, Allosteric 201 - 499 0 None Q207D Activin receptor type-1 Homo sapiens

Ligand: 2AI

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