Structure of PDB 4pl5 Chain A

Receptor sequence

>4pl5A (length=386) Species: 10090 (Mus musculus)

RMVIVGKISFCPKDVLGHGAEGTIVYKGMFDNRDVAVKRILPECFSFADR
EVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHL
GLEPITLLHQTTSGLAHLHSLNIVHRDLKPHNILLSMPNAHGRIKAMISD
FGLCKKLVPGTEGWIAPEMLSEPTYTVDIFSAGCVFYYVISEGYHPFGKS
LQRQANILLGACNLDCFHSDKHEDVIARELIEKMIAMDPQQRPSAKHVLK
HPFFWSLEKQLQFFQDVSDRIEKEALDGPIVRQLERGGRAVVKMDWRENI
TVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPVEVQETLGSIPDD
FVRYFTSRFPHLLSHTYQAMELCRHERLFQTYYWHE

3D structure

• PDB: 4pl5 Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
• Chain: A
• Resolution: 3.4 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 T161
• 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	31L	A	Y892 K907 H910	Y314 K329 H332	PDBbind-CN: -logKd/Ki=4.96,IC50=11uM
BS02	ADP	A	G578 H579 G580 A597 C645 T648 H692 L695 D711	G17 H18 G19 A36 C84 T87 H131 L134 D150
BS03	MG	A	H692 N693 D711	H131 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:4pl5, PDBe:4pl5, PDBj:4pl5
• PDBsum: 4pl5
• PubMed: 25164867
• UniProt: Q9EQY0|ERN1_MOUSE Serine/threonine-protein kinase/endoribonuclease IRE1 (Gene Name=Ern1)