Ligand: 8X7 (Adavosertib)

Total number of chains: 5
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 5VD0A

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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 PLK1 PLK1_HUMAN 8BJTA 2.188 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioo APEdist_iooo 8X7 Type1 39 - 330 0 None None Serine/threonine-protein kinase PLK1
CAMK PLK1 PLK1_HUMAN 9D0PA 2.65 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiio APEdist_ioio 8X7 Type1 37 - 330 0 None T210V Serine/threonine-protein kinase PLK1
OTHER PKMYT1 PMYT1_HUMAN 5VD0A 2.13 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi 8X7 Type1 77 - 361 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
OTHER WEE1 WEE1_HUMAN 5V5YA 1.9 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi 8X7 Type1 293 - 569 0 None None Wee1-like protein kinase
OTHER WEE2 WEE2_HUMAN 5VDKA 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi 8X7 Type1 204 - 486 0 None None Wee1-like protein kinase 2

Ligand: 8X7 (Adavosertib)

Total number of chains: 5
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 5VD0A

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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 PLK1 PLK1_HUMAN 8BJTA 2.188 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioo APEdist_iooo 8X7 Type1 39 - 330 0 None None Serine/threonine-protein kinase PLK1 Homo sapiens
CAMK PLK1 PLK1_HUMAN 9D0PA 2.65 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiio APEdist_ioio 8X7 Type1 37 - 330 0 None T210V Serine/threonine-protein kinase PLK1 Homo sapiens
OTHER PKMYT1 PMYT1_HUMAN 5VD0A 2.13 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi 8X7 Type1 77 - 361 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Homo sapiens
OTHER WEE1 WEE1_HUMAN 5V5YA 1.9 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi 8X7 Type1 293 - 569 0 None None Wee1-like protein kinase Homo sapiens
OTHER WEE2 WEE2_HUMAN 5VDKA 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi 8X7 Type1 204 - 486 0 None None Wee1-like protein kinase 2 Homo sapiens

Ligand: 8X7 (Adavosertib)

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