6HV0 Chain A
Serine/threonine-protein kinase/endoribonuclease IRE1 (ERN1)
Active — 98.8%DFG-outαC-outType1 · GUK
Resolution
2.73 Å
R-value
0.217
Predicted activity confidence98.8%
Structure info
Alternate conformation—
Missing atoms0
Missing residues11
Salt bridge (KinCore)Saltbr-none
Sequence info
PDB sequence
SVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECSDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMNPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFH
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--------------------------------------------S--D-----------------------EHPNVIRYFCTEKDRQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FQYIAIELCA---------------ATLQEYVEQ--KDF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GLEPITLLQQTTSGLAHLHSL---------------------------------------------NIVHRDL-----KPHNILISM--PNAHG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIKAMISDFGLCKKLAVGRHS--FSRR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVPGTEGWIAPEM------------------------------------NPT-YTVDIFSAGCVFYYVISE--G--------------SHPFGK----------------------------------------------------SLQRQANILLG--ACSLDCLHPEKHED-------------------------------------------------------------------------------------------------VIARELIEKMIAMDPQKRPS--------------AKHVLKHPFF
Activation segment
DFGLCKKLAVGRHS--FSRR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVPGTEGWIAPE
Binding pocket
DVLGHGAEGTIVYVAVKRI___________SDPNVIRYFCTYIAIELCAA_TLQEYVEQHLHSLNIVHRDLKPHNILIISDFGLC
Ligand info
Orthosteric ligand
GUK
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationout
αC-helix conformationout
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 6HV0, Chain A