3KRR Chain A
Tyrosine-protein kinase JAK2 (JAK2)
Active — 74.5%DFG-inαC-inType1 · DQX
Resolution
1.8 Å
R-value
0.169
Predicted activity confidence74.5%
Structure info
Alternate conformationA
Missing atoms11
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
SDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMA
UniProt reference sequence
LIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAELANLINNCMDYEPDFRPSFRAIIRDLNS
Aligned reference sequence
LIFN----------------ESLGQGT----------------FTKIFKGVR--REVGDYGQL-----------------------------HETEVLLKVLD--KAHRNY----------------------------SESFFEAASMMSKL--------------------------SHKHLVLNYGVCVCGD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ENILVQEFVKF--------------GSLDTYLKK--NKN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CINILWKLEVAKQLAWAMHFLEEN---------------------------------------------TLIHGNV-----CAKNILLIR--EEDRKTGN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PPFIKLSDPGISITVLPK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DILQERIPWVPPECIEN--P-----------------------------KNLN-LATDKWSFGTTLWEICSG--G--------------DKPLSA--------------------------------------------------LDSQRKLQFYEDR--HQLPAPKW-------------------------------------------------------------------------------------------------------AELANLINNCMDYEPDFRPS--------------FRAIIRDLNS
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
LKFL----------------QQLGKG--------------------NFGSVE--MCRYDPLQD-----------------------------NTGEVVAVKKL--QHSTEE----------------------------HLRDFEREIEILKL--------------------------QHDNIVKYKGVCYSGR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RNLLIMEYLPY--------------GSLRDYLQK--HKE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIDHIKLLQYTSQICKGMEYLGTK---------------------------------------------RYIHRDL-----ATRNILVEN--ENRVKIGD----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FGLTK---------VLPQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DKEKVKEPGESPIFWYA--P-----------------------------ESLS-VASDVWSFGVVLYELFTY--I--------------EKSKSP--------------------------------------------------PAEFMRMIGNDKQ--GQMIVFHL-------------------------------------------------------------------------------------------------------IEL--LKNNGRLPRPDQRPS--------------FRDQIRDNMA
Activation segment
-------VLPQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DKEKVKEPGESPI
Binding pocket
QQLGKGNFGSVEMVAVKKLDFEREIEILKSLQDNIVKYKGVKLIMEYLPYGSLRDYLQKYLGTKRYIHRDLATRNILVIGDFGLT
Ligand info
Orthosteric ligand
DQX
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3KRR, Chain A