Ligand: ZZL

Total number of chains: 7
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 4 57.1% 2WTVA
DFGin ABAminus 1 14.3% 2WTWA
DFGin None 1 14.3% 5IA1A
None None 1 14.3% 2X81A

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CAMK AURKA AURKA_HUMAN 2WTWA 3.302 Inactive DFGin‑ABAminus out-out in-out nonTYR APEdihe_aaiii APEdist_nnoo ZZL Type1 128 - 389 0 None L215R,T217E,R220K Aurora kinase A
CAMK AURKA AURKA_HUMAN 2WTVA 2.4 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaoii APEdist_iioo ZZL Type1 125 - 389 0 TPO287,TPO288 L215R,T217E,R220K Aurora kinase A
CAMK AURKA AURKA_HUMAN 2WTVB 2.4 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaiii APEdist_oooo ZZL Type1 126 - 389 0 TPO287,TPO288 L215R,T217E,R220K Aurora kinase A
CAMK AURKA AURKA_HUMAN 2WTVC 2.4 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaiii APEdist_oooo ZZL Type1 126 - 389 0 TPO287,TPO288 L215R,T217E,R220K Aurora kinase A
CAMK AURKA AURKA_HUMAN 2WTVD 2.4 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaooi APEdist_iioo ZZL Type1 125 - 389 0 TPO287,TPO288 L215R,T217E,R220K Aurora kinase A
CAMK AURKA AURKA_HUMAN 2X81A 2.91 Inactive None‑None out-none none-out nonTYR APEdihe_aaioi APEdist_nnno ZZL Type1 127 - 388 0 None None Aurora kinase A
TYR EPHA2 EPHA2_HUMAN 5IA1A 2.036 Inactive DFGin‑None in-in none-none TYR APEdihe_nniai APEdist_aaai ZZL Type1 605 - 888 0 None None Ephrin type-A receptor 2

Ligand: ZZL

Total number of chains: 7
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 4 57.1% 2WTVA
DFGin ABAminus 1 14.3% 2WTWA
DFGin None 1 14.3% 5IA1A
None None 1 14.3% 2X81A

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CAMK AURKA AURKA_HUMAN 2WTWA 3.302 Inactive DFGin‑ABAminus out-out in-out nonTYR APEdihe_aaiii APEdist_nnoo ZZL Type1 128 - 389 0 None L215R,T217E,R220K Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 2WTVA 2.4 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaoii APEdist_iioo ZZL Type1 125 - 389 0 TPO287,TPO288 L215R,T217E,R220K Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 2WTVB 2.4 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaiii APEdist_oooo ZZL Type1 126 - 389 0 TPO287,TPO288 L215R,T217E,R220K Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 2WTVC 2.4 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaiii APEdist_oooo ZZL Type1 126 - 389 0 TPO287,TPO288 L215R,T217E,R220K Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 2WTVD 2.4 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaooi APEdist_iioo ZZL Type1 125 - 389 0 TPO287,TPO288 L215R,T217E,R220K Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 2X81A 2.91 Inactive None‑None out-none none-out nonTYR APEdihe_aaioi APEdist_nnno ZZL Type1 127 - 388 0 None None Aurora kinase A Homo sapiens
TYR EPHA2 EPHA2_HUMAN 5IA1A 2.036 Inactive DFGin‑None in-in none-none TYR APEdihe_nniai APEdist_aaai ZZL Type1 605 - 888 0 None None Ephrin type-A receptor 2 Homo sapiens

Ligand: ZZL

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_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism