Ligand: A1A2T

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 9D50A
DFGinter None 1 50.0% 9D50B

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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
STE PAK1 PAK1_HUMAN 9D50A 1.898 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1A2T Type1 250 - 544 0 None D389N,T423E Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 9D50B 1.898 Inactive DFGinter‑None in-out none-out nonTYR APEdihe_aaiio APEdist_oooo A1A2T Type1 253 - 542 0 None D389N,T423E Serine/threonine-protein kinase PAK 1

Ligand: A1A2T

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 9D50A
DFGinter None 1 50.0% 9D50B

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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
STE PAK1 PAK1_HUMAN 9D50A 1.898 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1A2T Type1 250 - 544 0 None D389N,T423E Serine/threonine-protein kinase PAK 1 Homo sapiens
STE PAK1 PAK1_HUMAN 9D50B 1.898 Inactive DFGinter‑None in-out none-out nonTYR APEdihe_aaiio APEdist_oooo A1A2T Type1 253 - 542 0 None D389N,T423E Serine/threonine-protein kinase PAK 1 Homo sapiens

Ligand: A1A2T

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