Structure of PDB 3lj0 Chain B

Receptor sequence

>3lj0B (length=402) Species: 4932 (Saccharomyces cerevisiae)

LKNLVVSEKILGYGSSGTVVFQGSFQGRPVAVKRMLIDFCDIALMEIKLL
TESDDHPNVIRYYCSETTDRFLYIALELCNLNLQDLVESYNPISLLRQIA
SGVAHLHSLKIIHRDLKPQNILVSTSSRFTADQQTGAENLRILISDFGLC
KKLDSGQSSFRTTSGWRAPELLEESNNLQTKRRLTRSIDIFSMGCVFYYI
LSKGKHPFGDKYSRESNIIRGIFSLDEMKCLHDRSLIAEATDLISQMIDH
DPLKRPTAMKVLRHPLFWPKSKKLEFLLKVSDRLEIENRDPPSALLMKFD
AGSDFVIPSGDWTVKFDKTFMDNLERYRKYHSSKLMDLLRALRNKYHHFM
DLPEDIAELMGPVPDGFYDYFTKRFPNLLIGVYMIVKENLSDDQILREFL
YS

3D structure

• PDB: 3lj0 Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
• Chain: B
• 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): D115 K117 N120 D146 T163
• 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	B	N802 D828	N120 D146
BS02	ADP	B	Y682 G683 S684 T687 V689 A700 K702 C748 N751 Q801 L804 D828	Y13 G14 S15 T18 V20 A31 K33 C79 N82 Q119 L122 D146
BS03	QUE	B	S984 K985 K992 E1111 F1112	S271 K272 K279 E398 F399

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)