Structure of PDB 6xdd Chain A

Receptor sequence
>6xddA (length=404) Species: 9606 (Homo sapiens) [Search protein sequence]
ETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFA
DREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFA
HLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMI
SDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFS
AGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELI
EKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIV
KQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKH
HYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQP
YYFH
3D structure
PDB6xdd Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
ChainA
Resolution2.4 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) D129 K131 N134 D152 T175
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 N97 A L577 A597 K599 A609 E612 I640 I642 C645 E651 L695 D711 F712 G713 L18 A38 K40 A50 E53 I81 I83 C86 E92 L136 D152 F153 G154
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
View graph for
Biological Process
External links
PDB RCSB:6xdd, PDBe:6xdd, PDBj:6xdd
PDBsum6xdd
PubMed33335661
UniProtO75460|ERN1_HUMAN Serine/threonine-protein kinase/endoribonuclease IRE1 (Gene Name=ERN1)

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