Structure of PDB 6xdf Chain A

Receptor sequence
>6xdfA (length=402) Species: 9606 (Homo sapiens) [Search protein sequence]
ETSVVIVGKISFCPKDVLGHGAETIVYRGMFDNRDVAVKRILPECFSFAD
REVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDGLE
PITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGL
CKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVF
YYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIA
MDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLER
GGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYREL
PAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHE
PP
3D structure
PDB6xdf Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
ChainA
Resolution2.54 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D688 K690 N693 D711 T734
Catalytic site (residue number reindexed from 1) D124 K126 N129 D147 T170
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 N94 A V586 A597 V598 K599 E612 V613 L616 I642 C645 L695 D711 V26 A37 V38 K39 E52 V53 L56 I82 C85 L131 D147
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6xdf, PDBe:6xdf, PDBj:6xdf
PDBsum6xdf
PubMed33335661
UniProtO75460|ERN1_HUMAN Serine/threonine-protein kinase/endoribonuclease IRE1 (Gene Name=ERN1)

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