Ligand: 1N1 (Dasatinib)

Total number of chains: 23
Active chains: 2
Total number of genes: 11
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 26.1% 4QMSA
DFGin BLBplus 4 17.4% 5H2UA
DFGinter BABtrans 4 17.4% 3SXRA
DFGinter None 4 17.4% 4XEYA
DFGin BLBminus 2 8.7% 5I9YA
DFGin BLAplus 1 4.3% 3K54A
DFGout None 1 4.3% 5BVWA
None None 1 4.3% 3LFAA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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 MAPK14 MK14_HUMAN 3LFAA 2.1 Inactive None‑None in-in none-out nonTYR APEdihe_aaoii APEdist_nnno 1N1 Type1 4 - 353 0 None None Mitogen-activated protein kinase 14
OTHER PKMYT1 PMYT1_HUMAN 5VCVA 1.92 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi 1N1 Type1 75 - 361 0 TPO260 None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
STE STK10 STK10_HUMAN 5OWRA 2.3 Inactive DFGin‑BLAminus out-out out-none nonTYR APEdihe_aannn APEdist_nnnn 1N1 Type1 23 - 317 0 None None Serine/threonine-protein kinase 10
STE STK24 STK24_HUMAN 4QMSA 1.883 Inactive DFGin‑BLAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii 1N1 Type1 27 - 310 0 TPO190 None Serine/threonine-protein kinase 24
TYR ABL1 ABL1_HUMAN 7N9GB 2.2 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai STI, 1N1 Allosteric, Type1 233 - 498 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 2GQGA 2.4 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai 1N1 Type1 229 - 500 0 PTR393 None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 2GQGB 2.4 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1.5_Back 229 - 499 0 PTR393 None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4XEYB 2.891 Inactive DFGinter‑BABtrans in-out out-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 122 - 504 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 7N9GA 2.2 Inactive DFGinter‑None in-out out-none TYR APEdihe_nniai APEdist_aaai STI, 1N1 Allosteric, Type1 233 - 498 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 7N9GC 2.2 Inactive DFGinter‑None in-none out-none TYR APEdihe_nniai APEdist_aaai STI, 1N1 Allosteric, Type1 234 - 499 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4XEYA 2.891 Inactive DFGinter‑None in-out out-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 231 - 503 0 None None Tyrosine-protein kinase ABL1
TYR BMX BMX_HUMAN 3SXRA 2.4 Inactive DFGinter‑BABtrans out-out in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 411 - 671 0 None Q432K,Q611M,D617T,Q620E Cytoplasmic tyrosine-protein kinase BMX
TYR BMX BMX_HUMAN 3SXRB 2.4 Inactive DFGinter‑BABtrans out-out in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 411 - 671 0 None Q432K,Q611M,D617T,Q620E Cytoplasmic tyrosine-protein kinase BMX
TYR BTK BTK_HUMAN 3K54A 1.94 Inactive DFGin‑BLAplus in-out none-out TYR APEdihe_nniai APEdist_aaao 1N1 Type1 392 - 658 0 None Y551E Tyrosine-protein kinase BTK
TYR BTK BTK_HUMAN 3OCTA 1.95 Inactive DFGinter‑BABtrans in-out out-none TYR APEdihe_nniai APEdist_aaai 1N1 Type1 394 - 656 0 None V555R Tyrosine-protein kinase BTK
TYR DDR1 DDR1_HUMAN 6BSDA 2.606 Inactive DFGinter‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 604 - 912 0 None None Epithelial discoidin domain-containing receptor 1
TYR DDR1 DDR1_HUMAN 5BVWA 1.94 Inactive DFGout‑None in-in none-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 604 - 911 0 None None Epithelial discoidin domain-containing receptor 1
TYR EPHA2 EPHA2_HUMAN 5I9YA 1.228 Inactive DFGin‑BLBminus in-in out-none TYR APEdihe_nnnai APEdist_aaan 1N1 Type1 600 - 896 0 None None Ephrin type-A receptor 2
TYR EPHB4 EPHB4_HUMAN 6FNMA 1.157 Inactive DFGin‑BLBminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 608 - 889 0 None Y774E,A803V,V870I Ephrin type-B receptor 4
TYR PTK6 PTK6_HUMAN 5H2UA 2.24 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oooai APEdist_aaao 1N1 Type1 185 - 446 0 None C433T Protein-tyrosine kinase 6
TYR PTK6 PTK6_HUMAN 5H2UB 2.24 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oooai APEdist_aaao 1N1 Type1 185 - 446 0 None C433T Protein-tyrosine kinase 6
TYR PTK6 PTK6_HUMAN 5H2UC 2.24 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oooai APEdist_aaao 1N1 Type1 185 - 446 0 None C433T Protein-tyrosine kinase 6
TYR PTK6 PTK6_HUMAN 5H2UD 2.24 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oooai APEdist_aaao 1N1 Type1 185 - 446 0 None C433T Protein-tyrosine kinase 6

Ligand: 1N1 (Dasatinib)

Total number of chains: 35
Active chains: 3
Total number of genes: 16
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 13 37.1% 4QMSA
DFGinter BABtrans 6 17.1% 3SXRA
DFGin BLBplus 4 11.4% 5H2UA
DFGinter None 4 11.4% 4XEYA
DFGout None 3 8.6% 3OHTA
DFGin BLBminus 2 5.7% 5I9YA
DFGin BLAplus 1 2.9% 3K54A
DFGin None 1 2.9% 2Y6OA
None None 1 2.9% 3LFAA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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
TYR SRC SRC_CHICK 3QLGA 2.75 Inactive DFGin‑BLAminus in-in none-out TYR APEdihe_nniai APEdist_aaao 1N1 Type1.5_Back 258 - 533 0 None L317I Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR SRC SRC_CHICK 3QLGB 2.75 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_nniai APEdist_aaao 1N1 Type1.5_Back 256 - 533 0 None L317I Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR SRC SRC_CHICK 3G5DA 2.2 None DFGin‑BLAminus in-in in-none TYR APEdihe_nniai APEdist_aaai 1N1 Type1.5_Back 257 - 533 0 None S345C Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR SRC SRC_CHICK 3G5DB 2.2 None DFGin‑BLAminus in-in in-none TYR APEdihe_nniai APEdist_aaai 1N1 Type1.5_Back 258 - 533 0 None S345C Proto-oncogene tyrosine-protein kinase Src Gallus gallus
CMGC MAPK14 MK14_HUMAN 3LFAA 2.1 Inactive None‑None in-in none-out nonTYR APEdihe_aaoii APEdist_nnno 1N1 Type1 4 - 353 0 None None Mitogen-activated protein kinase 14 Homo sapiens
OTHER PKMYT1 PMYT1_HUMAN 5VCVA 1.92 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiai APEdist_iooi 1N1 Type1 75 - 361 0 TPO260 None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Homo sapiens
STE STK10 STK10_HUMAN 5OWRA 2.3 Inactive DFGin‑BLAminus out-out out-none nonTYR APEdihe_aannn APEdist_nnnn 1N1 Type1 23 - 317 0 None None Serine/threonine-protein kinase 10 Homo sapiens
STE STK24 STK24_HUMAN 4QMSA 1.883 Inactive DFGin‑BLAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii 1N1 Type1 27 - 310 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
TYR ABL1 ABL1_HUMAN 7N9GB 2.2 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai STI, 1N1 Allosteric, Type1 233 - 498 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 2GQGA 2.4 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai 1N1 Type1 229 - 500 0 PTR393 None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 2GQGB 2.4 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1.5_Back 229 - 499 0 PTR393 None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 4XEYB 2.891 Inactive DFGinter‑BABtrans in-out out-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 122 - 504 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 7N9GA 2.2 Inactive DFGinter‑None in-out out-none TYR APEdihe_nniai APEdist_aaai STI, 1N1 Allosteric, Type1 233 - 498 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 7N9GC 2.2 Inactive DFGinter‑None in-none out-none TYR APEdihe_nniai APEdist_aaai STI, 1N1 Allosteric, Type1 234 - 499 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 4XEYA 2.891 Inactive DFGinter‑None in-out out-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 231 - 503 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR BMX BMX_HUMAN 3SXRA 2.4 Inactive DFGinter‑BABtrans out-out in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 411 - 671 0 None Q432K,Q611M,D617T,Q620E Cytoplasmic tyrosine-protein kinase BMX Homo sapiens
TYR BMX BMX_HUMAN 3SXRB 2.4 Inactive DFGinter‑BABtrans out-out in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 411 - 671 0 None Q432K,Q611M,D617T,Q620E Cytoplasmic tyrosine-protein kinase BMX Homo sapiens
TYR BTK BTK_HUMAN 3K54A 1.94 Inactive DFGin‑BLAplus in-out none-out TYR APEdihe_nniai APEdist_aaao 1N1 Type1 392 - 658 0 None Y551E Tyrosine-protein kinase BTK Homo sapiens
TYR BTK BTK_HUMAN 3OCTA 1.95 Inactive DFGinter‑BABtrans in-out out-none TYR APEdihe_nniai APEdist_aaai 1N1 Type1 394 - 656 0 None V555R Tyrosine-protein kinase BTK Homo sapiens
TYR DDR1 DDR1_HUMAN 6BSDA 2.606 Inactive DFGinter‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 604 - 912 0 None None Epithelial discoidin domain-containing receptor 1 Homo sapiens
TYR DDR1 DDR1_HUMAN 5BVWA 1.94 Inactive DFGout‑None in-in none-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 604 - 911 0 None None Epithelial discoidin domain-containing receptor 1 Homo sapiens
TYR EPHA2 EPHA2_HUMAN 5I9YA 1.228 Inactive DFGin‑BLBminus in-in out-none TYR APEdihe_nnnai APEdist_aaan 1N1 Type1 600 - 896 0 None None Ephrin type-A receptor 2 Homo sapiens
TYR EPHB4 EPHB4_HUMAN 6FNMA 1.157 Inactive DFGin‑BLBminus in-in out-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1 608 - 889 0 None Y774E,A803V,V870I Ephrin type-B receptor 4 Homo sapiens
TYR PTK6 PTK6_HUMAN 5H2UA 2.24 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oooai APEdist_aaao 1N1 Type1 185 - 446 0 None C433T Protein-tyrosine kinase 6 Homo sapiens
TYR PTK6 PTK6_HUMAN 5H2UB 2.24 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oooai APEdist_aaao 1N1 Type1 185 - 446 0 None C433T Protein-tyrosine kinase 6 Homo sapiens
TYR PTK6 PTK6_HUMAN 5H2UC 2.24 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oooai APEdist_aaao 1N1 Type1 185 - 446 0 None C433T Protein-tyrosine kinase 6 Homo sapiens
TYR PTK6 PTK6_HUMAN 5H2UD 2.24 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oooai APEdist_aaao 1N1 Type1 185 - 446 0 None C433T Protein-tyrosine kinase 6 Homo sapiens
TYR ABL2 ABL2_MOUSE 4XLIA 2.5 Inactive DFGin‑BLAminus in-out in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1.5_Back 279 - 546 0 None None Tyrosine-protein kinase ABL2 Mus musculus
TYR ABL2 ABL2_MOUSE 4XLIB 2.5 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1.5_Back 279 - 546 0 None None Tyrosine-protein kinase ABL2 Mus musculus
TYR BTK BTK_MOUSE 8S9FA 2.6 Inactive DFGinter‑BABtrans out-out out-none TYR APEdihe_nnnai APEdist_aaan 1N1 Type1 392 - 659 0 None L390G,Y551E,Y617P Tyrosine-protein kinase BTK Mus musculus
TYR BTK BTK_MOUSE 8S9FB 2.6 Inactive DFGinter‑BABtrans out-out out-out TYR APEdihe_niiai APEdist_aaao 1N1 Type1 392 - 659 0 None L390G,Y551E,Y617P Tyrosine-protein kinase BTK Mus musculus
TYR EPHA4 EPHA4_MOUSE 2Y6OA 1.543 Inactive DFGin‑None in-in none-none TYR APEdihe_nniai APEdist_aaai 1N1 Type1 609 - 891 0 None None Ephrin type-A receptor 4 Mus musculus
TYR LYN LYN_MOUSE 2ZVAA 2.6 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai 1N1 Type1.5_Back 239 - 502 0 None None Tyrosine-protein kinase Lyn Mus musculus
CMGC P38A A9UJZ9_SALSA 3OHTA 2.7 Inactive DFGout‑None in-in none-none nonTYR APEdihe_aannn APEdist_nnnn 1N1, 1N1 Type1.5_Back, Allosteric 5 - 352 0 None None mitogen-activated protein kinase Salmo salar
CMGC P38A A9UJZ9_SALSA 3OHTB 2.7 Inactive DFGout‑None in-in none-none nonTYR APEdihe_aannn APEdist_nnnn 1N1, 1N1 Type1.5_Back, Allosteric 5 - 352 0 None None mitogen-activated protein kinase Salmo salar

Ligand: 1N1 (Dasatinib)

Total number of chains: 12
Active chains: 1
Total number of genes: 6
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 58.3% 4XLIA
DFGinter BABtrans 2 16.7% 8S9FB
DFGout None 2 16.7% 3OHTA
DFGin None 1 8.3% 2Y6OA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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
TYR SRC SRC_CHICK 3QLGA 2.75 Inactive DFGin‑BLAminus in-in none-out TYR APEdihe_nniai APEdist_aaao 1N1 Type1.5_Back 258 - 533 0 None L317I Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR SRC SRC_CHICK 3QLGB 2.75 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_nniai APEdist_aaao 1N1 Type1.5_Back 256 - 533 0 None L317I Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR SRC SRC_CHICK 3G5DA 2.2 None DFGin‑BLAminus in-in in-none TYR APEdihe_nniai APEdist_aaai 1N1 Type1.5_Back 257 - 533 0 None S345C Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR SRC SRC_CHICK 3G5DB 2.2 None DFGin‑BLAminus in-in in-none TYR APEdihe_nniai APEdist_aaai 1N1 Type1.5_Back 258 - 533 0 None S345C Proto-oncogene tyrosine-protein kinase Src Gallus gallus
TYR ABL2 ABL2_MOUSE 4XLIA 2.5 Inactive DFGin‑BLAminus in-out in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1.5_Back 279 - 546 0 None None Tyrosine-protein kinase ABL2 Mus musculus
TYR ABL2 ABL2_MOUSE 4XLIB 2.5 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 1N1 Type1.5_Back 279 - 546 0 None None Tyrosine-protein kinase ABL2 Mus musculus
TYR BTK BTK_MOUSE 8S9FA 2.6 Inactive DFGinter‑BABtrans out-out out-none TYR APEdihe_nnnai APEdist_aaan 1N1 Type1 392 - 659 0 None L390G,Y551E,Y617P Tyrosine-protein kinase BTK Mus musculus
TYR BTK BTK_MOUSE 8S9FB 2.6 Inactive DFGinter‑BABtrans out-out out-out TYR APEdihe_niiai APEdist_aaao 1N1 Type1 392 - 659 0 None L390G,Y551E,Y617P Tyrosine-protein kinase BTK Mus musculus
TYR EPHA4 EPHA4_MOUSE 2Y6OA 1.543 Inactive DFGin‑None in-in none-none TYR APEdihe_nniai APEdist_aaai 1N1 Type1 609 - 891 0 None None Ephrin type-A receptor 4 Mus musculus
TYR LYN LYN_MOUSE 2ZVAA 2.6 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai 1N1 Type1.5_Back 239 - 502 0 None None Tyrosine-protein kinase Lyn Mus musculus
CMGC P38A A9UJZ9_SALSA 3OHTA 2.7 Inactive DFGout‑None in-in none-none nonTYR APEdihe_aannn APEdist_nnnn 1N1, 1N1 Type1.5_Back, Allosteric 5 - 352 0 None None mitogen-activated protein kinase Salmo salar
CMGC P38A A9UJZ9_SALSA 3OHTB 2.7 Inactive DFGout‑None in-in none-none nonTYR APEdihe_aannn APEdist_nnnn 1N1, 1N1 Type1.5_Back, Allosteric 5 - 352 0 None None mitogen-activated protein kinase Salmo salar