4PL4 Chain C
Serine/threonine-protein kinase/endoribonuclease IRE1 (ERN1)
Inactive — 0.3%DFG-inαC-outATPlike · ADP
Resolution
3.0 Å
R-value
0.213
Predicted activity confidence0.3%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
RMVIVGKISFCPKDVLGHGAEGTIVYKGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLHQTTSGLAHLHSLNIVHRDLKPHNILLSMPNAHGRIKAMISDFGLCKKLVPGTEGWIAPEMLSPTYTVDIFSAGCVFYYVISEGYHPFGKSLQRQANILLGACNLDCFHSDKHEDVIARELIEKMIAMDPQQRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKEALDGPIVRQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPVEVQETLGSIPDDFVRYFTSRFPHLLSHTYQAMELCRHERLFQTYYWH
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-------------GTIVYKGMF----------------------------------------DNRDVAVKRIL--PEC-------------------------------FSFADREVQLLRES--D-----------------------EHPNVIRYFCTEKDRQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FQYIAIELCA---------------ATLQEYVEQ--KDF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AHLGLEPITLLHQTTSGLAHLHSL---------------------------------------------NIVHRDL-----KPHNILLSM--PNAHG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIKAMISDFGLCKKL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VPGTEGWIAPEMLS-----------------------------------PT-YTVDIFSAGCVFYYVISE--G--------------YHPFGK----------------------------------------------------SLQRQANILLG--ACNLDCFHSDKHED-------------------------------------------------------------------------------------------------VIARELIEKMIAMDPQQRPS--------------AKHVLKHPFF
Activation segment
DFGLCKKL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VPGTEGWIAPE
Binding pocket
DVLGHGAEGTIVYVAVKRIFADREVQLLRESDPNVIRYFCTYIAIELCAA_TLQEYVEQHLHSLNIVHRDLKPHNILLISDFGLC
Ligand info
Orthosteric ligand
ADP
Allosteric ligand
None
Ligand typeATPlike
Consensus conformation
DFG conformationin
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4PL4, Chain C