Protein kinases in complex with 0LI (Ponatinib)

Total number of genes: 10
Total number of chains: 19
Spatial Dihedral Chains Representative
DFGout BBAminus 10 3ZOSA
DFGout None 7 4QRCA
None None 2 6TU9A
All chains
Pymol session(ver 2.3) Pymol script
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv
Group Gene UniprotID Protein PDB Resolu Activity Label Spatial Label Dihedral Label Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type
TKL BRAF BRAF_HUMAN Serine/threonine-protein kinase B-raf 6P3DA 2.11 Inactive DFGout BBAminus in-in out-out 0LI Type2
TKL IRAK4 IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 6EG9A 2.414 Inactive DFGout None in-out none-in 0LI Type2
TKL IRAK4 IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 6EG9B 2.414 Inactive DFGout None in-in none-in 0LI Type2
TKL LRRK2 LRRK2_HUMAN Leucine-rich repeat serine/threonine-protein kinase 2 8U8AB 3.4 Inactive DFGout BBAminus in-out none-out 0LI Type2
TKL LRRK2 LRRK2_HUMAN Leucine-rich repeat serine/threonine-protein kinase 2 8U8AC 3.4 Inactive DFGout BBAminus in-out none-out 0LI Type2
TKL RIPK2 RIPK2_HUMAN Receptor-interacting serine/threonine-protein kinase 2 4C8BA 2.75 Inactive DFGout None in-in none-out 0LI Type2
TKL RIPK2 RIPK2_HUMAN Receptor-interacting serine/threonine-protein kinase 2 4C8BB 2.75 Inactive DFGout None in-in none-out 0LI Type2
TYR DDR1 DDR1_HUMAN Epithelial discoidin domain-containing receptor 1 3ZOSB 1.92 Inactive DFGout BBAminus in-in out-in 0LI Type2
TYR DDR1 DDR1_HUMAN Epithelial discoidin domain-containing receptor 1 3ZOSA 1.92 Inactive DFGout BBAminus in-in out-in 0LI 0LI Type2 Allosteric
TYR FGFR1 FGFR1_HUMAN Fibroblast growth factor receptor 1 4V01A 2.33 Inactive DFGout None in-in none-out 0LI Type2
TYR FGFR1 FGFR1_HUMAN Fibroblast growth factor receptor 1 4V01B 2.33 Inactive DFGout None in-in none-out 0LI Type2
TYR FGFR4 FGFR4_HUMAN Fibroblast growth factor receptor 4 4UXQA 1.85 Inactive DFGout BBAminus in-in out-out 0LI Type2
TYR FGFR4 FGFR4_HUMAN Fibroblast growth factor receptor 4 4TYJA 2.45 Inactive DFGout BBAminus in-in out-out 0LI Type2
TYR FGFR4 FGFR4_HUMAN Fibroblast growth factor receptor 4 4QRCA 1.901 Inactive DFGout None in-in out-out 0LI Type2
TYR KIT KIT_HUMAN Mast/stem cell growth factor receptor Kit 4U0IA 2.0 Inactive DFGout BBAminus in-in out-in 0LI Type2
TYR ROR1 ROR1_HUMAN Inactive tyrosine-protein kinase transmembrane receptor ROR1 6TU9A 1.94 Inactive None None in-in out-in 0LI Type1
TYR ROR1 ROR1_HUMAN Inactive tyrosine-protein kinase transmembrane receptor ROR1 6TU9B 1.94 Inactive None None in-in none-in 0LI Type1
TYR SRC SRC_HUMAN Proto-oncogene tyrosine-protein kinase Src 7OTEA 2.49 Inactive DFGout BBAminus in-in none-out 0LI Type2
TYR SRC SRC_HUMAN Proto-oncogene tyrosine-protein kinase Src 7OTEB 2.49 Inactive DFGout BBAminus in-out none-out 0LI Type2

Protein kinases in complex with 0LI

Total number of genes: 11
Total number of chains: 24
Spatial Dihedral Chains Representative
DFGout BBAminus 15 3IK3B
DFGout None 7 4QRCA
None None 2 6TU9A
All chains
Pymol session(ver 2.3) Pymol script
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv
Organism Group Gene UniprotID Protein PDB Resolu Activity Label Spatial Label Dihedral Label Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type
Gallus gallus TYR SRC SRC_CHICK Proto-oncogene tyrosine-protein kinase Src 7WF5A 1.798 Inactive DFGout BBAminus in-in none-out 0LI Type2
Gallus gallus TYR SRC SRC_CHICK Proto-oncogene tyrosine-protein kinase Src 7WF5B 1.798 Inactive DFGout BBAminus in-in none-out 0LI Type2
Homo sapiens TKL BRAF BRAF_HUMAN Serine/threonine-protein kinase B-raf 6P3DA 2.11 Inactive DFGout BBAminus in-in out-out 0LI Type2
Homo sapiens TKL IRAK4 IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 6EG9A 2.414 Inactive DFGout None in-out none-in 0LI Type2
Homo sapiens TKL IRAK4 IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 6EG9B 2.414 Inactive DFGout None in-in none-in 0LI Type2
Homo sapiens TKL LRRK2 LRRK2_HUMAN Leucine-rich repeat serine/threonine-protein kinase 2 8U8AB 3.4 Inactive DFGout BBAminus in-out none-out 0LI Type2
Homo sapiens TKL LRRK2 LRRK2_HUMAN Leucine-rich repeat serine/threonine-protein kinase 2 8U8AC 3.4 Inactive DFGout BBAminus in-out none-out 0LI Type2
Homo sapiens TKL RIPK2 RIPK2_HUMAN Receptor-interacting serine/threonine-protein kinase 2 4C8BA 2.75 Inactive DFGout None in-in none-out 0LI Type2
Homo sapiens TKL RIPK2 RIPK2_HUMAN Receptor-interacting serine/threonine-protein kinase 2 4C8BB 2.75 Inactive DFGout None in-in none-out 0LI Type2
Homo sapiens TYR DDR1 DDR1_HUMAN Epithelial discoidin domain-containing receptor 1 3ZOSB 1.92 Inactive DFGout BBAminus in-in out-in 0LI Type2
Homo sapiens TYR DDR1 DDR1_HUMAN Epithelial discoidin domain-containing receptor 1 3ZOSA 1.92 Inactive DFGout BBAminus in-in out-in 0LI 0LI Type2 Allosteric
Homo sapiens TYR FGFR1 FGFR1_HUMAN Fibroblast growth factor receptor 1 4V01A 2.33 Inactive DFGout None in-in none-out 0LI Type2
Homo sapiens TYR FGFR1 FGFR1_HUMAN Fibroblast growth factor receptor 1 4V01B 2.33 Inactive DFGout None in-in none-out 0LI Type2
Homo sapiens TYR FGFR4 FGFR4_HUMAN Fibroblast growth factor receptor 4 4UXQA 1.85 Inactive DFGout BBAminus in-in out-out 0LI Type2
Homo sapiens TYR FGFR4 FGFR4_HUMAN Fibroblast growth factor receptor 4 4TYJA 2.45 Inactive DFGout BBAminus in-in out-out 0LI Type2
Homo sapiens TYR FGFR4 FGFR4_HUMAN Fibroblast growth factor receptor 4 4QRCA 1.901 Inactive DFGout None in-in out-out 0LI Type2
Homo sapiens TYR KIT KIT_HUMAN Mast/stem cell growth factor receptor Kit 4U0IA 2.0 Inactive DFGout BBAminus in-in out-in 0LI Type2
Homo sapiens TYR ROR1 ROR1_HUMAN Inactive tyrosine-protein kinase transmembrane receptor ROR1 6TU9A 1.94 Inactive None None in-in out-in 0LI Type1
Homo sapiens TYR ROR1 ROR1_HUMAN Inactive tyrosine-protein kinase transmembrane receptor ROR1 6TU9B 1.94 Inactive None None in-in none-in 0LI Type1
Homo sapiens TYR SRC SRC_HUMAN Proto-oncogene tyrosine-protein kinase Src 7OTEA 2.49 Inactive DFGout BBAminus in-in none-out 0LI Type2
Homo sapiens TYR SRC SRC_HUMAN Proto-oncogene tyrosine-protein kinase Src 7OTEB 2.49 Inactive DFGout BBAminus in-out none-out 0LI Type2
Mus musculus TYR ABL1 ABL1_MOUSE Tyrosine-protein kinase ABL1 3IK3A 1.9 Inactive DFGout BBAminus in-in none-in 0LI Type2
Mus musculus TYR ABL1 ABL1_MOUSE Tyrosine-protein kinase ABL1 3IK3B 1.9 Inactive DFGout BBAminus in-in out-in 0LI Type2
Mus musculus TYR ABL1 ABL1_MOUSE Tyrosine-protein kinase ABL1 3OXZA 2.2 Inactive DFGout BBAminus in-in none-out 0LI Type2

Protein kinases in complex with 0LI

Total number of genes: 2
Total number of chains: 5
Spatial Dihedral Chains Representative
DFGout BBAminus 5 3IK3B
All chains
Pymol session(ver 2.3) Pymol script
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv

Organism Group Gene UniprotID Protein PDB Resolu Activity Label Spatial Label Dihedral Label Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type
Gallus gallus TYR SRC SRC_CHICK Proto-oncogene tyrosine-protein kinase Src 7WF5A 1.798 Inactive DFGout BBAminus in-in none-out 0LI Type2
Gallus gallus TYR SRC SRC_CHICK Proto-oncogene tyrosine-protein kinase Src 7WF5B 1.798 Inactive DFGout BBAminus in-in none-out 0LI Type2
Mus musculus TYR ABL1 ABL1_MOUSE Tyrosine-protein kinase ABL1 3IK3A 1.9 Inactive DFGout BBAminus in-in none-in 0LI Type2
Mus musculus TYR ABL1 ABL1_MOUSE Tyrosine-protein kinase ABL1 3IK3B 1.9 Inactive DFGout BBAminus in-in out-in 0LI Type2
Mus musculus TYR ABL1 ABL1_MOUSE Tyrosine-protein kinase ABL1 3OXZA 2.2 Inactive DFGout BBAminus in-in none-out 0LI Type2