Target Binding Site Detail
Target General Information | Top | ||||
---|---|---|---|---|---|
Target ID | T62460 | Target Info | |||
Target Name | Janus kinase 1 (JAK-1) | ||||
Synonyms | Tyrosine-protein kinase JAK1; JAK1B; JAK1A | ||||
Target Type | Successful Target | ||||
Gene Name | JAK1 | ||||
Biochemical Class | Kinase | ||||
UniProt ID |
Ligand General Information | Top | ||||
---|---|---|---|---|---|
Ligand Name | adenosine diphosphate | Ligand Info | |||
Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | ||||
InChI | 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
InChIKey | XTWYTFMLZFPYCI-KQYNXXCUSA-N | ||||
PubChem Compound ID | 6022 |
Drug Binding Sites of Target | Top | |||||
---|---|---|---|---|---|---|
PDB ID: 5KHW Crystal structure of JAK1 in complex with ADP | ||||||
Method | X-ray diffraction | Resolution | 2.47 Å | Mutation | No | [1] |
PDB Sequence |
PTHFEKRFLK
876 RIRDLGEGHF886 GKVELCRYDP896 EGDNTGEQVA906 VKSLKHIADL922 KKEIEILRNL 932 YHENIVKYKG942 ICTENGIKLI955 MEFLPSGSLK965 EYLPKNKNKI975 NLKQQLKYAV 985 QICKGMDYLG995 SRQYVHRDLA1005 ARNVLVESEH1015 QVKIGDFGLT1025 KAIETDKETV 1037 KDDRDSPVFW1047 YAPECLMQSK1057 FYIASDVWSF1067 GVTLHELLTY1077 CDSDSSPMAL 1087 FLKMIGPTHG1097 QMTVTRLVNT1107 LKEGKRLPCP1117 PNCPDEVYQL1127 MRKCWEFQPS 1137 NRTSFQNLIE1147 GFEALL
|
|||||
|
LEU881
3.063
GLY882
3.258
GLU883
4.482
GLY887
4.885
VAL889
3.035
ALA906
3.476
LYS908
2.737
GLU925
4.747
VAL938
3.287
MET956
2.623
GLU957
1.666
|
|||||
PDB ID: 6C7Y Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain | ||||||
Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
PDB Sequence |
AHFEKRFLKR
877 IRDLGEGHFG887 KVELCRYGDN900 TGEQVAVKSL910 KPHIADLKKE925 IEILRNLYHE 935 NIVKYKGICT945 EGIKLIMEFL959 PSGSLKEYLP969 KNKNKINLKQ979 QLKYAVQICK 989 GMDYLGSRQY999 VHRDLAARNV1009 LVESEHQVKI1019 GDFGLTKAIE1029 TDKEYTVKDD 1040 RDSPVFWYAP1050 ECLMQSKFYI1060 ASDVWSFGVT1070 LHELLTYCDS1080 DSSPMALFLK 1090 MIGPTHGQMT1100 VTRLVNTLKE1110 GKRLPCPPNC1120 PDEVYQLMRK1130 CWEFQPSNRT 1140 SFQNLIEGFE1150 ALL
|
|||||
|
LEU881
4.402
GLY882
3.507
GLU883
4.138
GLY884
3.319
HIS885
3.387
PHE886
3.458
GLY887
2.692
LYS888
4.710
VAL889
3.563
ALA906
3.421
LYS908
2.823
VAL938
4.462
|
References | Top | ||||
---|---|---|---|---|---|
REF 1 | Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system. Acta Crystallogr F Struct Biol Commun. 2016 Nov 1;72(Pt 11):840-845. | ||||
REF 2 | The molecular basis of JAK/STAT inhibition by SOCS1. Nat Commun. 2018 Apr 19;9(1):1558. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.