6W3A Chain A
Serine/threonine-protein kinase/endoribonuclease IRE1 (ERN1)
Inactive — 8.6%DFG-inαC-inType1 · SJM
Resolution
2.606 Å
R-value
0.249
Predicted activity confidence8.6%
Structure info
Alternate conformationB
Missing atoms19
Missing residues3
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
SVVIVGKISFCPKDVLGHEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLGTEGWIAPEMLENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENIVPLQTDLKGGSVRDLLRAMRNKKHHYRELPAEVRETLSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHE
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------------DVLGH----E-------------GTIVYRGMF----------------------------------------DNRDVAVKRIL--PEC-------------------------------FSFADREVQLLRES--D-----------------------EHPNVIRYFCTEKDRQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FQYIAIELCA---------------ATLQEYVEQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LEPITLLQQTTSGLAHLHSL---------------------------------------------NIVHRDL-----KPHNILISM--PNAHG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIKAMISDFGL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTEGWIAPEML----------------------------------ENPT-YTVDIFSAGCVFYYVISE--G--------------SHPFGK----------------------------------------------------SLQRQANILLG--ACSLDCLHPEKHED-------------------------------------------------------------------------------------------------VIARELIEKMIAMDPQKRPS--------------AKHVLKHPFF
Activation segment
DFGL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTEGWIAPE
Binding pocket
DVLGH__EGTIVYVAVKRIFADREVQLLRESDPNVIRYFCTYIAIELCAA_TLQEYVEQHLHSLNIVHRDLKPHNILIISDFGL_
Ligand info
Orthosteric ligand
SJM
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 6W3A, Chain A