Structure of PDB 4pl4 Chain A

Receptor sequence

>4pl4A (length=385) Species: 10090 (Mus musculus)

RMVIVGKISFCPKDVLGHGAEGTIVYKGMFDNRDVAVKRILPECFSFADR
EVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHL
GLEPITLLHQTTSGLAHLHSLNIVHRDLKPHNILLSMPNAHGRIKAMISD
FGLCKKLAVPGTEGWIAPEMLSPTYTVDIFSAGCVFYYVISEGYHPFGKS
LQRQANILLGACNLDCFHSDKHEDVIARELIEKMIAMDPQQRPSAKHVLK
HPFFWSLEKQLQFFQDVSDRIEKEALDGPIVRQLERGGRAVVKMDWRENI
TVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPVEVQETLGSIPDD
FVRYFTSRFPHLLSHTYQAMELCRHERLFQTYYWH

3D structure

• PDB: 4pl4 Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
• Chain: A
• Resolution: 3.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D688 K690 N693 D711 T734
• Catalytic site (residue number reindexed from 1): D127 K129 N132 D150 T162
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.
  3.1.26.-

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	31K	A	F889 Y892 N906 K907 H910	F311 Y314 N328 K329 H332	PDBbind-CN: -logKd/Ki=5.27,IC50=5.4uM
BS02	ADP	A	G580 A597 K599 I642 E643 C645 T648 H692 L695 D711	G19 A36 K38 I81 E82 C84 T87 H131 L134 D150
BS03	MG	A	N693 D711	N132 D150

Gene Ontology

Molecular Function

• GO:0004521 RNA endonuclease activity
• GO:0004540 RNA nuclease activity
• GO:0004672 protein kinase activity
• GO:0004674 protein serine/threonine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006397 mRNA processing
• GO:0006468 protein phosphorylation
• GO:0030968 endoplasmic reticulum unfolded protein response

External links

• PDB: RCSB:4pl4, PDBe:4pl4, PDBj:4pl4
• PDBsum: 4pl4
• PubMed: 25164867
• UniProt: Q9EQY0|ERN1_MOUSE Serine/threonine-protein kinase/endoribonuclease IRE1 (Gene Name=Ern1)