Ligand: 6T2 (Crenolanib)

Total number of chains: 5
Active chains: 3
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 8S1AB
DFGin BLAplus 1 20.0% 6JOIA
None None 1 20.0% 6JOJA

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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 CAMKK2 KKCC2_HUMAN 6BQPA 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 6T2 Type1 161 - 448 0 None None Calcium/calmodulin-dependent protein kinase kinase 2
TYR KIT KIT_HUMAN 8S1AA 1.85 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6T2 Type1 565 - 931 0 None I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 8S1AB 1.85 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6T2 Type1 566 - 931 0 None I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D Mast/stem cell growth factor receptor Kit
TYR PDGFRA PGFRA_HUMAN 6JOIA 3.1 Inactive DFGin‑BLAplus in-out none-in TYR APEdihe_iiiai APEdist_aaai 6T2 Type1 569 - 973 0 None T674I Platelet-derived growth factor receptor alpha
TYR PDGFRA PGFRA_HUMAN 6JOJA 2.6 Inactive None‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai 6T2 Type1 554 - 973 0 None None Platelet-derived growth factor receptor alpha

Ligand: 6T2 (Crenolanib)

Total number of chains: 5
Active chains: 3
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 8S1AB
DFGin BLAplus 1 20.0% 6JOIA
None None 1 20.0% 6JOJA

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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 CAMKK2 KKCC2_HUMAN 6BQPA 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 6T2 Type1 161 - 448 0 None None Calcium/calmodulin-dependent protein kinase kinase 2 Homo sapiens
TYR KIT KIT_HUMAN 8S1AA 1.85 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6T2 Type1 565 - 931 0 None I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D Mast/stem cell growth factor receptor Kit Homo sapiens
TYR KIT KIT_HUMAN 8S1AB 1.85 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6T2 Type1 566 - 931 0 None I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D Mast/stem cell growth factor receptor Kit Homo sapiens
TYR PDGFRA PGFRA_HUMAN 6JOIA 3.1 Inactive DFGin‑BLAplus in-out none-in TYR APEdihe_iiiai APEdist_aaai 6T2 Type1 569 - 973 0 None T674I Platelet-derived growth factor receptor alpha Homo sapiens
TYR PDGFRA PGFRA_HUMAN 6JOJA 2.6 Inactive None‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai 6T2 Type1 554 - 973 0 None None Platelet-derived growth factor receptor alpha Homo sapiens

Ligand: 6T2 (Crenolanib)

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