Ligand: D6I

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 8YHFA
DFGin BLBminus 1 33.3% 4BZDA

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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
CMGC CDK2 CDK2_HUMAN 4BZDA 1.83 Inactive DFGin‑BLBminus out-none none-out nonTYR APEdihe_aaiii APEdist_nnoo D6I Type1 1 - 298 0 None None Cyclin-dependent kinase 2
TKL TGFBR1 TGFR1_HUMAN 8YHLA 1.47 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1D6I Type1 200 - 501 0 None None TGF-beta receptor type-1
TKL TGFBR1 TGFR1_HUMAN 8YHFA 1.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1D6I Type1 201 - 498 0 None None TGF-beta receptor type-1

Ligand: D6I

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 8YHFA
DFGin BLBminus 1 33.3% 4BZDA

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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
CMGC CDK2 CDK2_HUMAN 4BZDA 1.83 Inactive DFGin‑BLBminus out-none none-out nonTYR APEdihe_aaiii APEdist_nnoo D6I Type1 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
TKL TGFBR1 TGFR1_HUMAN 8YHLA 1.47 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1D6I Type1 200 - 501 0 None None TGF-beta receptor type-1 Homo sapiens
TKL TGFBR1 TGFR1_HUMAN 8YHFA 1.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1D6I Type1 201 - 498 0 None None TGF-beta receptor type-1 Homo sapiens

Ligand: D6I

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