2IN6 Chain A
Wee1-like protein kinase (WEE1)
Active — 99.7%DFG-inαC-inType1 · 839
Resolution
1.9 Å
R-value
0.25
Predicted activity confidence99.7%
Structure info
Alternate conformation—
Missing atoms10
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
MKSRYTTEFHELEKIGSGEFGSVFKCVKRLDGCIYAIKRSKKPSVDEQNALREVYAHAVLGQHSHVVRYFSAWAEDDHMLIQNEYCNGGSLADAISENYRIMSYFKEAELKDLLLQVGRGLRYIHSMSLVHMDIKPSNIFISKVMFKIGDLGHVTRISSPQVEEGDSRFLANEVLQENYTHLPKADIFALALTVVCAAGAEPLPRNGDQWHEIRQGRLPRIPQVLSQEFTELLKVMIHPDPERRPSAMALVKHSVL
UniProt reference sequence
FHELEKIGSGEFGSVFKCVKRLDGCIYAIKRSKKPLAGSVDEQNALREVYAHAVLGQHSHVVRYFSAWAEDDHMLIQNEYCNGGSLADAISENYRIMSYFKEAELKDLLLQVGRGLRYIHSMSLVHMDIKPSNIFISRTSIPNAASEEGDEDDWASNKVMFKIGDLGHVTRISSPQVEEGDSRFLANEVLQENYTHLPKADIFALALTVVCAAGAEPLPRNGDQWHEIRQGRLPRIPQVLSQEFTELLKVMIHPDPERRPSAMALVKHSVL
Aligned reference sequence
FHEL----------------EKIGSGE----------------FGSVFKCVK--RL------------------------------------DGCIYAIKRSK--KPLAGSVD--------------------------EQNALREVYAHAVL--G-----------------------QHSHVVRYFSAWAEDD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HMLIQNEYCNG--------------GSLADAISE--NYRIMS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YFKEAELKDLLLQVGRGLRYIHSM---------------------------------------------SLVHMDI-----KPSNIFISR--TSIPNAASEEGDEDDWASN-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KVMFKIGDLGHVTRISSP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QVEEGDSRFLANEVLQE--N-----------------------------YTHL-PKADIFALALTVVCAAGA-------------------------EPL---------------------------------------------PRNGDQWHEIRQG--RLPRIPQVLS-----------------------------------------------------------------------------------------------------QEFTELLKVMIHPDPERRPS--------------AMALVKHSVL
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
FHEL----------------EKIGSGE----------------FGSVFKCVK--RL------------------------------------DGCIYAIKRSK--KP---SVD--------------------------EQNALREVYAHAVL--G-----------------------QHSHVVRYFSAWAEDD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HMLIQNEYCNG--------------GSLADAISE--NYRIMS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YFKEAELKDLLLQVGRGLRYIHSM---------------------------------------------SLVHMDI-----KPSNIFIS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KVMFKIGDLGHVTRISSP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QVEEGDSRFLANEVLQE--N-----------------------------YTHL-PKADIFALALTVVCAAGA-------------------------EPL---------------------------------------------PRNGDQWHEIRQG--RLPRIPQVLS-----------------------------------------------------------------------------------------------------QEFTELLKVMIHPDPERRPS--------------AMALVKHSVL
Activation segment
DLGHVTRISSP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QVEEGDSRFLANE
Binding pocket
EKIGSGEFGSVFKYAIKRSNALREVYAHAVLGSHVVRYFSALIQNEYCNGGSLADAISEYIHSMSLVHMDIKPSNIFIIGDLGHV
Ligand info
Orthosteric ligand
839
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 2IN6, Chain A