Ligand: XQQ (Acalabrutinib, Calquence)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
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

Ligand: XQQ (Acalabrutinib, Calquence)

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 100.0% 8FD9A
All chains - renumbered by
Uniprot PDB Alignment
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Hover over column headers for tooltip help

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
TYR BTK BTK_MOUSE 8FD9A 1.7 Inactive DFGin‑BLBplus out-none out-out TYR APEdihe_oiiai APEdist_aaao XQQ Type1.5_Back 396 - 659 0 None K430R,L542M,S543T,V555T,R562K,S564A,P565S,Y617P Tyrosine-protein kinase BTK Mus musculus

Ligand: XQQ (Acalabrutinib, Calquence)

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 100.0% 8FD9A
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Advanced page

Hover over column headers for tooltip help

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
TYR BTK BTK_MOUSE 8FD9A 1.7 Inactive DFGin‑BLBplus out-none out-out TYR APEdihe_oiiai APEdist_aaao XQQ Type1.5_Back 396 - 659 0 None K430R,L542M,S543T,V555T,R562K,S564A,P565S,Y617P Tyrosine-protein kinase BTK Mus musculus