Ligand: MI1 (Tofacitinib, Xeljanz)

Total number of chains: 6
Active chains: 0
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 5 83.3% 3LXNA
DFGin BLAplus 1 16.7% 4OTIA
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
AGC PKN1 PKN1_HUMAN 4OTIA 1.93 Inactive DFGin‑BLAplus in-in none-none nonTYR APEdihe_aannn APEdist_nnnn MI1 Type1 606 - 940 0 TPO774,SEP916 None Serine/threonine-protein kinase N1
TYR JAK1-2 JAK1_HUMAN 3EYGA 1.9 Inactive DFGin‑ABAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai MI1 Type1 865 - 1154 0 PTR1034,PTR1035 None Tyrosine-protein kinase JAK1
TYR JAK2-2 JAK2_HUMAN 3FUPA 2.4 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai MI1 Type1 843 - 1132 0 PTR1007,PTR1008 N1129Q Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 3FUPB 2.4 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai MI1 Type1 840 - 1132 0 PTR1007,PTR1008 N1129Q Tyrosine-protein kinase JAK2
TYR JAK3-2 JAK3_HUMAN 3LXKA 2.0 Inactive DFGin‑ABAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai MI1 Type1 815 - 1098 0 None C1048S Tyrosine-protein kinase JAK3
TYR TYK2-2 TYK2_HUMAN 3LXNA 2.5 Inactive DFGin‑ABAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai MI1 Type1 888 - 1178 0 PTR1054 C936A,Q969A,E971A,K972A,C1142A Non-receptor tyrosine-protein kinase TYK2

Ligand: MI1 (Tofacitinib, Xeljanz)

Total number of chains: 6
Active chains: 0
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 5 83.3% 3LXNA
DFGin BLAplus 1 16.7% 4OTIA
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 Organism
AGC PKN1 PKN1_HUMAN 4OTIA 1.93 Inactive DFGin‑BLAplus in-in none-none nonTYR APEdihe_aannn APEdist_nnnn MI1 Type1 606 - 940 0 TPO774,SEP916 None Serine/threonine-protein kinase N1 Homo sapiens
TYR JAK1-2 JAK1_HUMAN 3EYGA 1.9 Inactive DFGin‑ABAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai MI1 Type1 865 - 1154 0 PTR1034,PTR1035 None Tyrosine-protein kinase JAK1 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 3FUPA 2.4 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai MI1 Type1 843 - 1132 0 PTR1007,PTR1008 N1129Q Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 3FUPB 2.4 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai MI1 Type1 840 - 1132 0 PTR1007,PTR1008 N1129Q Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK3-2 JAK3_HUMAN 3LXKA 2.0 Inactive DFGin‑ABAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai MI1 Type1 815 - 1098 0 None C1048S Tyrosine-protein kinase JAK3 Homo sapiens
TYR TYK2-2 TYK2_HUMAN 3LXNA 2.5 Inactive DFGin‑ABAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai MI1 Type1 888 - 1178 0 PTR1054 C936A,Q969A,E971A,K972A,C1142A Non-receptor tyrosine-protein kinase TYK2 Homo sapiens

Ligand: MI1 (Tofacitinib, Xeljanz)

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
Download database table as tsv Advanced page
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