Ligand: H8H (Saracatinib)

Total number of chains: 8
Active chains: 1
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 4 50.0% 6ZGCC
DFGin BLAminus 3 37.5% 5VD3A
DFGin BLBplus 1 12.5% 2H8HA

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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 PKMYT1 PMYT1_HUMAN 5VCXA 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi H8H Type1 75 - 361 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
OTHER PKMYT1 PMYT1_HUMAN 5VD3A 1.8 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi H8H Type1 78 - 360 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
STE STK24 STK24_HUMAN 4QMXA 1.882 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii H8H Type1 24 - 311 0 TPO190 None Serine/threonine-protein kinase 24
TKL ACVR1 ACVR1_HUMAN 6ZGCA 2.67 Inactive DFGin‑ABAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii H8H Type1 205 - 499 0 None Q207D Activin receptor type-1
TKL ACVR1 ACVR1_HUMAN 6ZGCB 2.67 Inactive DFGin‑ABAminus in-out in-none nonTYR APEdihe_aaiii APEdist_niii H8H Type1 203 - 499 0 None Q207D Activin receptor type-1
TKL ACVR1 ACVR1_HUMAN 6ZGCC 2.67 Inactive DFGin‑ABAminus in-none in-out nonTYR APEdihe_aaiii APEdist_iooi H8H Type1 201 - 498 0 None Q207D Activin receptor type-1
TKL ACVR1 ACVR1_HUMAN 6ZGCD 2.67 Inactive DFGin‑ABAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii H8H Type1 203 - 498 0 None Q207D Activin receptor type-1
TYR SRC SRC_HUMAN 2H8HA 2.2 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oiiai APEdist_aaao H8H Type1 88 - 532 0 PTR530 None Proto-oncogene tyrosine-protein kinase Src

Ligand: H8H (Saracatinib)

Total number of chains: 8
Active chains: 1
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 4 50.0% 6ZGCC
DFGin BLAminus 3 37.5% 5VD3A
DFGin BLBplus 1 12.5% 2H8HA

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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
OTHER PKMYT1 PMYT1_HUMAN 5VCXA 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi H8H Type1 75 - 361 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Homo sapiens
OTHER PKMYT1 PMYT1_HUMAN 5VD3A 1.8 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi H8H Type1 78 - 360 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Homo sapiens
STE STK24 STK24_HUMAN 4QMXA 1.882 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii H8H Type1 24 - 311 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
TKL ACVR1 ACVR1_HUMAN 6ZGCA 2.67 Inactive DFGin‑ABAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii H8H Type1 205 - 499 0 None Q207D Activin receptor type-1 Homo sapiens
TKL ACVR1 ACVR1_HUMAN 6ZGCB 2.67 Inactive DFGin‑ABAminus in-out in-none nonTYR APEdihe_aaiii APEdist_niii H8H Type1 203 - 499 0 None Q207D Activin receptor type-1 Homo sapiens
TKL ACVR1 ACVR1_HUMAN 6ZGCC 2.67 Inactive DFGin‑ABAminus in-none in-out nonTYR APEdihe_aaiii APEdist_iooi H8H Type1 201 - 498 0 None Q207D Activin receptor type-1 Homo sapiens
TKL ACVR1 ACVR1_HUMAN 6ZGCD 2.67 Inactive DFGin‑ABAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii H8H Type1 203 - 498 0 None Q207D Activin receptor type-1 Homo sapiens
TYR SRC SRC_HUMAN 2H8HA 2.2 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oiiai APEdist_aaao H8H Type1 88 - 532 0 PTR530 None Proto-oncogene tyrosine-protein kinase Src Homo sapiens

Ligand: H8H (Saracatinib)

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