Ligand: KWD

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 6NPEA

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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
TYR ABL1 ABL1_HUMAN 6NPEA 2.15 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai STI, KWD Type2, Allosteric 232 - 500 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 6NPEB 2.15 Inactive DFGout‑BBAminus in-in none-none TYR APEdihe_nniai APEdist_aaai STI, KWD Type2, Allosteric 233 - 511 0 None None Tyrosine-protein kinase ABL1

Ligand: KWD

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 6NPEA

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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
TYR ABL1 ABL1_HUMAN 6NPEA 2.15 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai STI, KWD Type2, Allosteric 232 - 500 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 6NPEB 2.15 Inactive DFGout‑BBAminus in-in none-none TYR APEdihe_nniai APEdist_aaai STI, KWD Type2, Allosteric 233 - 511 0 None None Tyrosine-protein kinase ABL1 Homo sapiens

Ligand: KWD

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