Ligand: C87 (Momelotinib)

Total number of chains: 3
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 8BXHA
DFGin BLAminus 1 33.3% 7NNSB
DFGout BBAminus 1 33.3% 6FDZU
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
OTHER ULK3 ULK3_HUMAN 6FDZU 2.55 Inactive DFGout‑BBAminus out-out out-out nonTYR APEdihe_aaioi APEdist_iooo C87 Type1 8 - 274 0 None None Serine/threonine-protein kinase ULK3
TKL ACVR1 ACVR1_HUMAN 7NNSB 2.14 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiii APEdist_iooi C87 Type1 204 - 499 0 None Q207D Activin receptor type-1
TYR JAK2-2 JAK2_HUMAN 8BXHA 1.3 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai C87 Type1 840 - 1132 0 PTR1007,PTR1008 None Tyrosine-protein kinase JAK2

Ligand: C87 (Momelotinib)

Total number of chains: 3
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 8BXHA
DFGin BLAminus 1 33.3% 7NNSB
DFGout BBAminus 1 33.3% 6FDZU
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
OTHER ULK3 ULK3_HUMAN 6FDZU 2.55 Inactive DFGout‑BBAminus out-out out-out nonTYR APEdihe_aaioi APEdist_iooo C87 Type1 8 - 274 0 None None Serine/threonine-protein kinase ULK3 Homo sapiens
TKL ACVR1 ACVR1_HUMAN 7NNSB 2.14 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiii APEdist_iooi C87 Type1 204 - 499 0 None Q207D Activin receptor type-1 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 8BXHA 1.3 Inactive DFGin‑ABAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai C87 Type1 840 - 1132 0 PTR1007,PTR1008 None Tyrosine-protein kinase JAK2 Homo sapiens

Ligand: C87 (Momelotinib)

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