Ligand: B45

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 60.0% 3GC8A
DFGin BLBplus 1 20.0% 3GC7A
DFGin None 1 20.0% 3GC9A

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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
CMGC MAPK11 MK11_HUMAN 3GC9B 2.05 Inactive DFGin‑ABAminus in-out out-out nonTYR APEdihe_aaioi APEdist_nnoo B45 Type1 2 - 349 0 None C119S,C162S Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC8A 2.4 Inactive DFGin‑ABAminus in-out out-out nonTYR APEdihe_aaioi APEdist_iooo B45 Type1 3 - 349 0 None C162S Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC8B 2.4 Inactive DFGin‑ABAminus in-out out-out nonTYR APEdihe_aaioi APEdist_oooo B45 Type1 4 - 349 0 None C162S Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC9A 2.05 Inactive DFGin‑None in-out none-out nonTYR APEdihe_aaioi APEdist_nnno B45 Type1 3 - 348 0 None C119S,C162S Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 3GC7A 1.8 Inactive DFGin‑BLBplus in-in out-out nonTYR APEdihe_aaooi APEdist_oooo B45 Type1 4 - 352 0 None C162S Mitogen-activated protein kinase 14

Ligand: B45

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 60.0% 3GC8A
DFGin BLBplus 1 20.0% 3GC7A
DFGin None 1 20.0% 3GC9A

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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
CMGC MAPK11 MK11_HUMAN 3GC9B 2.05 Inactive DFGin‑ABAminus in-out out-out nonTYR APEdihe_aaioi APEdist_nnoo B45 Type1 2 - 349 0 None C119S,C162S Mitogen-activated protein kinase 11 Homo sapiens
CMGC MAPK11 MK11_HUMAN 3GC8A 2.4 Inactive DFGin‑ABAminus in-out out-out nonTYR APEdihe_aaioi APEdist_iooo B45 Type1 3 - 349 0 None C162S Mitogen-activated protein kinase 11 Homo sapiens
CMGC MAPK11 MK11_HUMAN 3GC8B 2.4 Inactive DFGin‑ABAminus in-out out-out nonTYR APEdihe_aaioi APEdist_oooo B45 Type1 4 - 349 0 None C162S Mitogen-activated protein kinase 11 Homo sapiens
CMGC MAPK11 MK11_HUMAN 3GC9A 2.05 Inactive DFGin‑None in-out none-out nonTYR APEdihe_aaioi APEdist_nnno B45 Type1 3 - 348 0 None C119S,C162S Mitogen-activated protein kinase 11 Homo sapiens
CMGC MAPK14 MK14_HUMAN 3GC7A 1.8 Inactive DFGin‑BLBplus in-in out-out nonTYR APEdihe_aaooi APEdist_oooo B45 Type1 4 - 352 0 None C162S Mitogen-activated protein kinase 14 Homo sapiens

Ligand: B45

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

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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