Structure of PDB 5z05 Chain A Binding Site BS01

Receptor Information
>5z05 Chain A (length=361) Species: 89462 (Bubalus bubalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YKLICYYTSWSQYREGDGSCFPDAIDPFLCTHVIYSFANISNNEIDTWEW
NDVTLYDTLNTLKNRNPKLKTLLSVGGWNFGSQRFSKIASKTQSRRTFIK
SVPPFLRTHGFDGLDLAWLYPGWRDKRHLTTLVKEMKAEFVREAQAGTEQ
LLLSAAVPAGKIAIDRGYDIAQISRHLDFISLLTYDFHGAWRQTVGHHSP
LFRGQEDASSRFSNADYAVSYMLRLGAPANKLVMGIPTFGKSYTLASSKT
DVGAPISGPGIPGQFTKEKGILAYYEICDFLHGATTHRFRDQQVPYATKG
NQWVAYDDQESVKNKARYLKNRQLAGAMVWALDLDDFRGTFCGQNLAFPL
TNAIKDVLAGV
Ligand information
Ligand IDACN
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKeyCSCPPACGZOOCGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)=O
ACDLabs 11.02O=C(C)C
OpenEye OEToolkits 1.7.0CC(=O)C
FormulaC3 H6 O
NameACETONE
ChEMBLCHEMBL14253
DrugBank
ZINCZINC000000895111
PDB chain5z05 Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5z05 A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies
Resolution1.49 Å
Binding residue
(original residue number in PDB)		W78 Y185 W331
Binding residue
(residue number reindexed from 1)		W78 Y185 W330
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D115 A117 L119 Y185
Catalytic site (residue number reindexed from 1) D115 A117 L119 Y185
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008061 chitin binding
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006032 chitin catabolic process
GO:0006915 apoptotic process
GO:0006954 inflammatory response
GO:0007250 activation of NF-kappaB-inducing kinase activity
GO:0009612 response to mechanical stimulus
GO:0010800 positive regulation of peptidyl-threonine phosphorylation
GO:0030324 lung development
GO:0032757 positive regulation of interleukin-8 production
GO:0034612 response to tumor necrosis factor
GO:0045766 positive regulation of angiogenesis
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:0070555 response to interleukin-1
GO:0070741 response to interleukin-6
GO:0071356 cellular response to tumor necrosis factor
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0048471 perinuclear region of cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5z05, PDBe:5z05, PDBj:5z05
PDBsum5z05
PubMed29524427
UniProtQ7YS85|CH3L1_BUBBU Chitinase-3-like protein 1 (Gene Name=CHI3L1)

[Back to BioLiP]