Ligand: 2HB (Filgotinib)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 66.7% 4P7EB
DFGin None 1 33.3% 5UT5A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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 JAK2-2 JAK2_HUMAN 4P7EA 2.4 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 2HB Type1 843 - 1132 0 PTR1007,PTR1008 N1129Q Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 4P7EB 2.4 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 2HB Type1 840 - 1132 0 PTR1007,PTR1008 N1129Q Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 5UT5A 1.9 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 2HB Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2

Ligand: 2HB (Filgotinib)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 66.7% 4P7EB
DFGin None 1 33.3% 5UT5A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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 JAK2-2 JAK2_HUMAN 4P7EA 2.4 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 2HB Type1 843 - 1132 0 PTR1007,PTR1008 N1129Q Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 4P7EB 2.4 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 2HB Type1 840 - 1132 0 PTR1007,PTR1008 N1129Q Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 5UT5A 1.9 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 2HB Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens

Ligand: 2HB (Filgotinib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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