Structure of PDB 5ayk Chain A Binding Site BS01

Receptor Information
>5ayk Chain A (length=744) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNFYSLLGVSKTASSREIRQAFKKLALKLHPDKNPNNPNAHGDFLKINRA
YEVLKDEDLRKKYDKYGEKGLEDNQGGQYESWSYYRYDFGIYDDDPEIIT
LERREFDAAVNSGELWFVNFYSPGSSHSHDLAPTWREFAKEVDGLLRIGA
VNCGDDRMLCRMKGVNSYPSLFIFRSGMAAVKYNGDRSKESLVAFAMQHV
RSTVTELSTGNFVNAIETAFAAGVGWLITFCSKGEDCLTSQTRLRLSGML
DGLVNVGWVDCDAQDSLCKSLDSTTAYFPPGATLNDREKSSVLFLNSLDA
KEIYMEIIHNLPDFELLSANQLEDRLAHHRWLVFFHFGKNNDPELKKLKT
LLKNEHIQVVRFDCSSAPGICSDLYVFQPSLAVFKGQGTKEYEIHHGKKI
LYDILAFAKESVNSHVTTLGPQNFPASDKEPWLVDFFAPWSPPSRALLPE
LRKASTLLYGQLKVGTLDCTIHEGLCNMYNIQAYPTTVVFNQSSIHEYEG
HHSAEQILEFIEDLRNPSVVSLTPSTFNELVKQRKHDEVWMVDFYSPWSH
PSQVLMPEWKRMARTLTGLINVGSVDCQQYHSFCTQENVQRYPEIRFYPQ
KSSKAYQYHSYNGWNRDAYSLRSWGLGFLPQASIDLTPQTFNEKVLQGKT
HWVVDFYAPWSGPSQNFAPEFELLARMIKGKVRAGKVDCQAYPQTCQKAG
IKAYPSVKLYQYERAKKSIWEEQINSRDAKTIAALIYGKLETLQ
Ligand information
Ligand ID1PS
InChIInChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyREEBJQTUIJTGAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S](=O)(=O)CCC[n+]1ccccc1
ACDLabs 10.04[O-]S(=O)(=O)CCC[n+]1ccccc1
OpenEye OEToolkits 1.5.0c1cc[n+](cc1)CCCS(=O)(=O)[O-]
FormulaC8 H11 N O3 S
Name3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
1-(3-SULFOPROPYL) PYRIDINIUM;
PPS
ChEMBL
DrugBank
ZINC
PDB chain5ayk Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ayk Highly dynamic nature of ERdj5 is essential for enhancement of the ER associated degradation
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y112 E113 S114
Binding residue
(residue number reindexed from 1)		Y79 E80 S81
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H345 N346 L347 P348
Catalytic site (residue number reindexed from 1) H309 N310 L311 P312
Enzyme Commision number 1.8.4.-
Gene Ontology
Molecular Function
GO:0015036 disulfide oxidoreductase activity
Biological Process
GO:0034975 protein folding in endoplasmic reticulum
Cellular Component
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ayk, PDBe:5ayk, PDBj:5ayk
PDBsum5ayk
PubMed
UniProtQ9DC23|DJC10_MOUSE DnaJ homolog subfamily C member 10 (Gene Name=Dnajc10)

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