Ligand: DB8 (Bosutinib)

Total number of chains: 26
Spatial label Dihedral label Number of Chains Representative
DFGin BLAminus 17 5VCYA
DFGin BLBminus 1 5I9XA
DFGin BLBplus 1 6OP9A
DFGin None 2 5AJQA
DFGinter BABtrans 1 4MXXB
DFGinter None 2 9D5FA
DFGout None 2 3UE4A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv

Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CAMK CAMK2A KCC2A_HUMAN 3SOAA 3.55 Inactive DFGinter‑None in-na in-in DB8 Type1 7 - 474 0 None K42M,D135N,T306V Calcium/calmodulin-dependent protein kinase type II subunit alpha
CAMK SIK3 SIK3_HUMAN 8R4QA 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4QC 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4QE 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4QG 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4QI 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4QK 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3
OTHER PKMYT1 PMYT1_HUMAN 5VCYA 1.56 Inactive DFGin‑BLAminus in-in in-out DB8 Type1 77 - 362 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
OTHER ULK3 ULK3_HUMAN 6FDYU 1.7 Inactive DFGin‑BLAminus out-out in-in DB8, DB8 Type1, Allosteric 9 - 274 0 None None Serine/threonine-protein kinase ULK3
OTHER WEE1 WEE1_HUMAN 5VC3A 1.97 Inactive DFGin‑BLAminus out-out in-out DB8 Type1 293 - 570 0 None None Wee1-like protein kinase
STE STK10 STK10_HUMAN 5AJQA 2.2 Inactive DFGin‑None out-out out-out DB8 Type1 24 - 312 6 None None Serine/threonine-protein kinase 10
STE STK10 STK10_HUMAN 5AJQB 2.2 Inactive DFGin‑None out-none out-none DB8 Type1 25 - 312 13 None None Serine/threonine-protein kinase 10
STE STK24 STK24_HUMAN 4QMNA 2.091 Active DFGin‑BLAminus in-in in-in DB8 Type1 27 - 310 0 X190 None Serine/threonine-protein kinase 24
TKL ILK ILK_HUMAN 9D5FA 1.5 Pseudo DFGinter‑None out-out out-out DB8 Type1 182 - 452 0 None C346S,C422S Scaffold protein ILK
TYR ABL1 ABL1_HUMAN 3UE4A 2.424 Inactive DFGout‑None in-out out-in DB8 Type1 233 - 502 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3UE4B 2.424 Inactive DFGout‑None in-out out-in DB8 Type1 233 - 502 0 None None Tyrosine-protein kinase ABL1
TYR EPHA2 EPHA2_HUMAN 5I9XA 1.427 Inactive DFGin‑BLBminus in-in out-in DB8 Type1 604 - 896 4 None None Ephrin type-A receptor 2
TYR ERBB3 ERBB3_HUMAN 6OP9A 2.501 Pseudo DFGin‑BLBplus out-na out-out DB8 Type1 699 - 979 5 None None Receptor tyrosine-protein kinase erbB-3
TYR SRC SRC_HUMAN 4MXYA 2.582 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 260 - 536 11 None M317L,T341M Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 4MXYB 2.582 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 261 - 536 12 None M317L,T341M Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 4MXZA 2.582 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 260 - 536 11 None M317L,T341M Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 4MXZB 2.582 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 261 - 536 12 None M317L,T341M Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 4MXXA 2.6 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 260 - 536 11 None A406T Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 4MXOA 2.105 None DFGin‑BLAminus in-in in-none DB8 Type1 260 - 536 11 None None Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 4MXOB 2.105 None DFGin‑BLAminus in-in in-none DB8 Type1 261 - 536 12 None None Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 4MXXB 2.6 Inactive DFGinter‑BABtrans out-out none-none DB8 Type1 261 - 536 16 None A406T Proto-oncogene tyrosine-protein kinase Src

Ligand: DB8 (Bosutinib)

Total number of chains: 26
Spatial label Dihedral label Number of Chains Representative
DFGin BLAminus 17 5VCYA
DFGin BLBminus 1 5I9XA
DFGin BLBplus 1 6OP9A
DFGin None 2 5AJQA
DFGinter BABtrans 1 4MXXB
DFGinter None 2 9D5FA
DFGout None 2 3UE4A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv

Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CAMK CAMK2A KCC2A_HUMAN 3SOAA 3.55 Inactive DFGinter‑None in-na in-in DB8 Type1 7 - 474 0 None K42M,D135N,T306V Calcium/calmodulin-dependent protein kinase type II subunit alpha Homo sapiens
CAMK SIK3 SIK3_HUMAN 8R4QA 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3 Homo sapiens
CAMK SIK3 SIK3_HUMAN 8R4QC 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3 Homo sapiens
CAMK SIK3 SIK3_HUMAN 8R4QE 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3 Homo sapiens
CAMK SIK3 SIK3_HUMAN 8R4QG 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3 Homo sapiens
CAMK SIK3 SIK3_HUMAN 8R4QI 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3 Homo sapiens
CAMK SIK3 SIK3_HUMAN 8R4QK 2.838 Inactive DFGin‑BLAminus in-out in-out DB8 Type1 62 - 384 0 X221 C121S,C181S,C333S Serine/threonine-protein kinase SIK3 Homo sapiens
OTHER PKMYT1 PMYT1_HUMAN 5VCYA 1.56 Inactive DFGin‑BLAminus in-in in-out DB8 Type1 77 - 362 0 None None Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Homo sapiens
OTHER ULK3 ULK3_HUMAN 6FDYU 1.7 Inactive DFGin‑BLAminus out-out in-in DB8, DB8 Type1, Allosteric 9 - 274 0 None None Serine/threonine-protein kinase ULK3 Homo sapiens
OTHER WEE1 WEE1_HUMAN 5VC3A 1.97 Inactive DFGin‑BLAminus out-out in-out DB8 Type1 293 - 570 0 None None Wee1-like protein kinase Homo sapiens
STE STK10 STK10_HUMAN 5AJQA 2.2 Inactive DFGin‑None out-out out-out DB8 Type1 24 - 312 6 None None Serine/threonine-protein kinase 10 Homo sapiens
STE STK10 STK10_HUMAN 5AJQB 2.2 Inactive DFGin‑None out-none out-none DB8 Type1 25 - 312 13 None None Serine/threonine-protein kinase 10 Homo sapiens
STE STK24 STK24_HUMAN 4QMNA 2.091 Active DFGin‑BLAminus in-in in-in DB8 Type1 27 - 310 0 X190 None Serine/threonine-protein kinase 24 Homo sapiens
TKL ILK ILK_HUMAN 9D5FA 1.5 Pseudo DFGinter‑None out-out out-out DB8 Type1 182 - 452 0 None C346S,C422S Scaffold protein ILK Homo sapiens
TYR ABL1 ABL1_HUMAN 3UE4A 2.424 Inactive DFGout‑None in-out out-in DB8 Type1 233 - 502 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 3UE4B 2.424 Inactive DFGout‑None in-out out-in DB8 Type1 233 - 502 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR EPHA2 EPHA2_HUMAN 5I9XA 1.427 Inactive DFGin‑BLBminus in-in out-in DB8 Type1 604 - 896 4 None None Ephrin type-A receptor 2 Homo sapiens
TYR ERBB3 ERBB3_HUMAN 6OP9A 2.501 Pseudo DFGin‑BLBplus out-na out-out DB8 Type1 699 - 979 5 None None Receptor tyrosine-protein kinase erbB-3 Homo sapiens
TYR SRC SRC_HUMAN 4MXYA 2.582 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 260 - 536 11 None M317L,T341M Proto-oncogene tyrosine-protein kinase Src Homo sapiens
TYR SRC SRC_HUMAN 4MXYB 2.582 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 261 - 536 12 None M317L,T341M Proto-oncogene tyrosine-protein kinase Src Homo sapiens
TYR SRC SRC_HUMAN 4MXZA 2.582 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 260 - 536 11 None M317L,T341M Proto-oncogene tyrosine-protein kinase Src Homo sapiens
TYR SRC SRC_HUMAN 4MXZB 2.582 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 261 - 536 12 None M317L,T341M Proto-oncogene tyrosine-protein kinase Src Homo sapiens
TYR SRC SRC_HUMAN 4MXXA 2.6 Inactive DFGin‑BLAminus in-out in-none DB8 Type1 260 - 536 11 None A406T Proto-oncogene tyrosine-protein kinase Src Homo sapiens
TYR SRC SRC_HUMAN 4MXOA 2.105 None DFGin‑BLAminus in-in in-none DB8 Type1 260 - 536 11 None None Proto-oncogene tyrosine-protein kinase Src Homo sapiens
TYR SRC SRC_HUMAN 4MXOB 2.105 None DFGin‑BLAminus in-in in-none DB8 Type1 261 - 536 12 None None Proto-oncogene tyrosine-protein kinase Src Homo sapiens
TYR SRC SRC_HUMAN 4MXXB 2.6 Inactive DFGinter‑BABtrans out-out none-none DB8 Type1 261 - 536 16 None A406T Proto-oncogene tyrosine-protein kinase Src Homo sapiens

Ligand: DB8 (Bosutinib)

Total number of chains: 0
Spatial label Dihedral label Number of Chains Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv

Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism