4U6R Chain A
Serine/threonine-protein kinase/endoribonuclease IRE1 (ERN1)
Active — 97.4%DFG-inαC-inType1.5_Back · 3E4
Resolution
2.5 Å
R-value
0.204
Predicted activity confidence97.4%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
TSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGTLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFH
UniProt reference sequence
ISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFF
Aligned reference sequence
ISFC--PK------------DVLGHGA--E-------------GTIVYRGMF----------------------------------------DNRDVAVKRIL--PEC-------------------------------FSFADREVQLLRES--D-----------------------EHPNVIRYFCTEKDRQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FQYIAIELCA---------------ATLQEYVEQ--KDF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AHLGLEPITLLQQTTSGLAHLHSL---------------------------------------------NIVHRDL-----KPHNILISM--PNAHG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIKAMISDFGLCKKLAVGRHS--FSRR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVPGTEGWIAPEMLSE--DCK---------------------------ENPT-YTVDIFSAGCVFYYVISE--G--------------SHPFGK----------------------------------------------------SLQRQANILLG--ACSLDCLHPEKHED-------------------------------------------------------------------------------------------------VIARELIEKMIAMDPQKRPS--------------AKHVLKHPFF
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
ISFC--PK------------DVLGHGA--E-------------GTIVYRGMF----------------------------------------DNRDVAVKRIL--PEC-------------------------------FSFADREVQLLRES--D-----------------------EHPNVIRYFCTEKDRQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FQYIAIELCA---------------ATLQEYVEQ--KDF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AHLGLEPITLLQQTTSGLAHLHSL---------------------------------------------NIVHRDL-----KPHNILISM--PNAHG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIKAMISDFGLCKKLAVGRHS--FSRR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVPGTEGWIAPEMLSE--DCK---------------------------ENPT-YTVDIFSAGCVFYYVISE--G--------------SHPFGK----------------------------------------------------SLQRQANILLG--ACSLDCLHPEKHED-------------------------------------------------------------------------------------------------VIARELIEKMIAMDPQKRPS--------------AKHVLKHPFF
Activation segment
DFGLCKKLAVGRHS--FSRR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVPGTEGWIAPE
Binding pocket
DVLGHGAEGTIVYVAVKRIFADREVQLLRESDPNVIRYFCTYIAIELCAA_TLQEYVEQHLHSLNIVHRDLKPHNILIISDFGLC
Ligand info
Orthosteric ligand
3E4
Allosteric ligand
None
Ligand typeType1.5_Back
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4U6R, Chain A