4I5C Chain A
Tyrosine-protein kinase JAK1 (JAK1)
Inactive — 43.1%DFG-inαC-inType1 · C5I
Resolution
2.1 Å
R-value
0.193
Predicted activity confidence43.1%
Structure info
Alternate conformationB
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
VDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPNHIADLKKEIEILRNLYHENIVKYKGICTNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETKETVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
UniProt reference sequence
LVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINK
Aligned reference sequence
LVQG----------------EHLGRGT----------------RTHIYSGTL--MDYKDDEGTSEE--------------------------KKIKVILKVLD--PSHRDI----------------------------SLAFFEAASMMRQV--------------------------SHKHIVYLYGVCVRDV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ENIMVEEFVEG--------------GPLDLFMHR--KSD------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLTTPWKFKVAKQLASALSYLEDK---------------------------------------------DLVHGNV-----CTKNLLLAR--EGIDSEC-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GPFIKLSDPGIPITVLSR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QECIERIPWIAPECVED--S-----------------------------KNLS-VAADKWSFGTTLWEICYN--G--------------EIPLKD--------------------------------------------------KTLIEKERFYESR--CRPVTPSC-------------------------------------------------------------------------------------------------------KELADLMTRCMNYDPNQRPF--------------FRAIMRDINK
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
LKRI----------------RDLGEG-------------------HFGKVEL--CRY-DPEGTGE------------------------------QVAVKSLK--PNHIAD----------------------------LKKEIE---ILRNL--------------------------YHENIVKYKGICTNGI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLIM--EFLPS--------------GSLKEYLPK--NKN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KINLKQQLKYAVQICKGMDYLGSR---------------------------------------------QYVH------------RDLAA--RNVLVES-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EHQVKIGDFGIETKETVK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DDRDSPVFWYAPECLMQ--S-----------------------------K-FY-IASDVWSFGVTLHEYCDS--D--------------SSPLKV--------------------------------------------------NTLKEGKR--------LPCPPNC-------------------------------------------------------------------------------------------------------PEVYQLMRKCWEFQPSNRTS--------------FIEGFEALLK
Activation segment
DFGIETKETVK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DDRDSPVFWYAPE
Binding pocket
RDLGEGHFGKVELVAVKSLDLKKEIEILRNLYENIVKYKGIKLIMEFLPSGSLKEYLPKYLGSRQYVHRDLAARNVLVIGDFGLT
Ligand info
Orthosteric ligand
C5I
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4I5C, Chain A