Ligand: 4T6

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% 5BMSA
DFGin BLAplus 1 33.3% 4ZY6B

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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 4ZY6A 2.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4T6 Type1 251 - 542 0 None D389N Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 4ZY6B 2.15 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaiio APEdist_oooo 4T6 Type1 255 - 542 0 None D389N Serine/threonine-protein kinase PAK 1
STE PAK4 PAK4_HUMAN 5BMSA 2.903 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4T6 Type1 300 - 589 0 SEP474 None Serine/threonine-protein kinase PAK 4

Ligand: 4T6

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% 5BMSA
DFGin BLAplus 1 33.3% 4ZY6B

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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 4ZY6A 2.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4T6 Type1 251 - 542 0 None D389N Serine/threonine-protein kinase PAK 1 Homo sapiens
STE PAK1 PAK1_HUMAN 4ZY6B 2.15 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaiio APEdist_oooo 4T6 Type1 255 - 542 0 None D389N Serine/threonine-protein kinase PAK 1 Homo sapiens
STE PAK4 PAK4_HUMAN 5BMSA 2.903 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4T6 Type1 300 - 589 0 SEP474 None Serine/threonine-protein kinase PAK 4 Homo sapiens

Ligand: 4T6

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