Structure of PDB 3lj0 Chain A

Receptor sequence

>3lj0A (length=407) Species: 4932 (Saccharomyces cerevisiae)

NFEQSLKNLVVSEKILGYGSSGTVVFQGSFQGRPVAVKRMLIDFCDIALM
EIKLLTESDDHPNVIRYYCSETTDRFLYIALELCNLNLQDLVESYNPISL
LRQIASGVAHLHSLKIIHRDLKPQNILVSTSSRFTADQQTGAENLRILIS
DFGLCKKLDSGQSSFRTTSGWRAPELLEESNNLQTKRRLTRSIDIFSMGC
VFYYILSKGKHPFGDKYSRESNIIRGIFSLDEMKCLHDRSLIAEATDLIS
QMIDHDPLKRPTAMKVLRHPLFWPKSKKLEFLLKVSDRLEIENRDPPSAL
LMKFDAGSDFVIPSGDWTVKFDKTFMDNLERYRKYHSSKLMDLLRALRNK
YHHFMDLPEDIAELMGPVPDGFYDYFTKRFPNLLIGVYMIVKENLSDDQI
LREFLYS

3D structure

• PDB: 3lj0 Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
• Chain: A
• Resolution: 3.2 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D797 K799 N802 D828 T852
• Catalytic site (residue number reindexed from 1): D120 K122 N125 D151 T168
• 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	MG	A	N802 D828	N125 D151
BS02	ADP	A	G683 A700 K702 C748 N751 Q801 L804 D828	G19 A36 K38 C84 N87 Q124 L127 D151
BS03	QUE	A	S984 K985 K992 E1111 F1112	S276 K277 K284 E403 F404
BS04	QUE	A	E988 P1077	E280 P369

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:3lj0, PDBe:3lj0, PDBj:3lj0
• PDBsum: 3lj0
• PubMed: 20417606
• UniProt: P32361|IRE1_YEAST Serine/threonine-protein kinase/endoribonuclease IRE1 (Gene Name=IRE1)