Ligand: KSA

Total number of chains: 7
Active chains: 3
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 71.4% 4WSQA
DFGin BLBplus 2 28.6% 1R0PA

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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 MELK MELK_HUMAN 5M5AA 1.9 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aanoi APEdist_nnnn KSA Type1 2 - 333 0 None None Maternal embryonic leucine zipper kinase
OTHER AAK1 AAK1_HUMAN 4WSQA 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii KSA Type1 29 - 345 0 None None AP2-associated protein kinase 1
OTHER AAK1 AAK1_HUMAN 4WSQB 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii KSA Type1 33 - 342 0 None None AP2-associated protein kinase 1
OTHER IKBKB IKKB_HUMAN 4KIKA 2.83 Inactive DFGin‑BLAminus in-in none-out nonTYR APEdihe_aaooi APEdist_oooo KSA Type1 9 - 663 0 SEP257 None Inhibitor of nuclear factor kappa-B kinase subunit beta
OTHER IKBKB IKKB_HUMAN 4KIKB 2.83 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii KSA Type1 2 - 663 0 SEP177,SEP181 None Inhibitor of nuclear factor kappa-B kinase subunit beta
STE MAP2K1 MP2K1_HUMAN 3EQFA 2.7 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaioi APEdist_oooo KSA Type1 39 - 381 0 None S298N,S299K,Y300F Dual specificity mitogen-activated protein kinase kinase 1
TYR MET MET_HUMAN 1R0PA 1.8 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oiiai APEdist_aaao KSA Type1 1050 - 1360 0 None Y1194F,Y1234F,Y1235D,L1272L Hepatocyte growth factor receptor

Ligand: KSA

Total number of chains: 7
Active chains: 3
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 71.4% 4WSQA
DFGin BLBplus 2 28.6% 1R0PA

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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
CAMK MELK MELK_HUMAN 5M5AA 1.9 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aanoi APEdist_nnnn KSA Type1 2 - 333 0 None None Maternal embryonic leucine zipper kinase Homo sapiens
OTHER AAK1 AAK1_HUMAN 4WSQA 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii KSA Type1 29 - 345 0 None None AP2-associated protein kinase 1 Homo sapiens
OTHER AAK1 AAK1_HUMAN 4WSQB 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii KSA Type1 33 - 342 0 None None AP2-associated protein kinase 1 Homo sapiens
OTHER IKBKB IKKB_HUMAN 4KIKA 2.83 Inactive DFGin‑BLAminus in-in none-out nonTYR APEdihe_aaooi APEdist_oooo KSA Type1 9 - 663 0 SEP257 None Inhibitor of nuclear factor kappa-B kinase subunit beta Homo sapiens
OTHER IKBKB IKKB_HUMAN 4KIKB 2.83 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii KSA Type1 2 - 663 0 SEP177,SEP181 None Inhibitor of nuclear factor kappa-B kinase subunit beta Homo sapiens
STE MAP2K1 MP2K1_HUMAN 3EQFA 2.7 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaioi APEdist_oooo KSA Type1 39 - 381 0 None S298N,S299K,Y300F Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
TYR MET MET_HUMAN 1R0PA 1.8 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oiiai APEdist_aaao KSA Type1 1050 - 1360 0 None Y1194F,Y1234F,Y1235D,L1272L Hepatocyte growth factor receptor Homo sapiens

Ligand: KSA

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