Ligand: RXT (Ruxolitinib)

Total number of chains: 11
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 10 90.9% 6VGLA
DFGin BLAminus 1 9.1% 7F3GA
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
CAMK DCLK1 DCLK1_HUMAN 7F3GB 2.1 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii RXT Type1 383 - 648 0 None None Serine/threonine-protein kinase DCLK1
CAMK DCLK1 DCLK1_HUMAN 7F3GA 2.1 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii RXT Type1 376 - 648 0 None None Serine/threonine-protein kinase DCLK1
TYR JAK2-2 JAK2_HUMAN 6VGLA 1.9 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 840 - 1132 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VGLB 1.9 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 840 - 1132 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VGLC 1.9 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 843 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VGLD 1.9 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 843 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VNKA 2.0 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 840 - 1132 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VNKB 2.0 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 840 - 1132 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VNKC 2.0 Inactive DFGin‑ABAminus in-in in-out TYR APEdihe_iiiai APEdist_aaao RXT Type1 843 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VNKD 2.0 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 843 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6WTNA 1.83 Inactive DFGin‑ABAminus in-in in-none TYR APEdihe_niiai APEdist_aaai RXT Type1 843 - 1132 0 PTR1007,PTR1008 None Tyrosine-protein kinase JAK2

Ligand: RXT (Ruxolitinib)

Total number of chains: 13
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 10 76.9% 6VGLA
DFGin BLAminus 3 23.1% 7F3GA
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 Organism
TYR SRC SRC_CHICK 4U5JA 2.26 Inactive DFGin‑BLAminus in-out in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 259 - 533 0 None None Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR SRC SRC_CHICK 4U5JB 2.26 Inactive DFGin‑BLAminus in-out in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 259 - 533 0 None None Proto-oncogene tyrosine-protein kinase Src Gallus gallus
CAMK DCLK1 DCLK1_HUMAN 7F3GB 2.1 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii RXT Type1 383 - 648 0 None None Serine/threonine-protein kinase DCLK1 Homo sapiens
CAMK DCLK1 DCLK1_HUMAN 7F3GA 2.1 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii RXT Type1 376 - 648 0 None None Serine/threonine-protein kinase DCLK1 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6VGLA 1.9 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 840 - 1132 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6VGLB 1.9 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 840 - 1132 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6VGLC 1.9 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 843 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6VGLD 1.9 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 843 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6VNKA 2.0 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 840 - 1132 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6VNKB 2.0 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 840 - 1132 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6VNKC 2.0 Inactive DFGin‑ABAminus in-in in-out TYR APEdihe_iiiai APEdist_aaao RXT Type1 843 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6VNKD 2.0 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 843 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6WTNA 1.83 Inactive DFGin‑ABAminus in-in in-none TYR APEdihe_niiai APEdist_aaai RXT Type1 843 - 1132 0 PTR1007,PTR1008 None Tyrosine-protein kinase JAK2 Homo sapiens

Ligand: RXT (Ruxolitinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4U5JA
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 SRC SRC_CHICK 4U5JA 2.26 Inactive DFGin‑BLAminus in-out in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 259 - 533 0 None None Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR SRC SRC_CHICK 4U5JB 2.26 Inactive DFGin‑BLAminus in-out in-in TYR APEdihe_iiiai APEdist_aaai RXT Type1 259 - 533 0 None None Proto-oncogene tyrosine-protein kinase Src Gallus gallus