6W3A Chain B
Serine/threonine-protein kinase/endoribonuclease IRE1 (ERN1)
Inactive — 0.0%DFG-inαC-inType1 · SJM
Resolution
2.606 Å
R-value
0.249
Predicted activity confidence0.0%
Structure info
Alternate conformationA
Missing atoms32
Missing residues3
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
SVVIVGKISFCPKDVLGHGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCGTEGWIAPEMLSENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHE
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------------------GTIVYRGMF----------------------------------------DNRDVAVKRIL--PEC-------------------------------FSFADREVQLLRES--D-----------------------EHPNVIRYFCTEKDRQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FQYIAIELCA---------------ATLQEYVEQ---DF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AHLGLEPITLLQQTTSGLAHLHSL---------------------------------------------NIVHRDL-----KPHNILISM--PNAHG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIKAMISDFGLC-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTEGWIAPEMLS---------------------------------ENPT-YTVDIFSAGCVFYYVISE--G--------------SHPFGK----------------------------------------------------SLQRQANILLG--ACSLDCLHPEKHED-------------------------------------------------------------------------------------------------VIARELIEKMIAMDPQKRPS--------------AKHVLKHPFF
Activation segment
DFGLC-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTEGWIAPE
Binding pocket
DVLGH___GTIVYVAVKRIFADREVQLLRESDPNVIRYFCTYIAIELCAA_TLQEYVEQHLHSLNIVHRDLKPHNILIISDFGLC
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 B