Structure of PDB 7aua Chain A Binding Site BS01

Receptor Information
>7aua Chain A (length=686) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCRLHNCFDYSRCPLTSGFPVYVYDSDQFVFGSYLDPLVKQAFQATARAN
VYVTENADIACLYVILVGEMQEPVVLRPAELEKQLYSLPHWRTDGHNHVI
INLSRKSDTQNLLYNVSTGRAMVAQSTFYTVQYRPGFDLVVSPLVHAMSE
PNFMEIPPQVPVKRKYLFTFQGEKDYDDRIIATLKAVQDSKLDQVLVEFT
CKNQPKPSLPTEWALCGEREDRLELLKLSTFALIITPGDPRLVISSGCAT
RLFEALEVGAVPVVLGEQVQLPYQDMLQWNEAALVVPKPRVTEVHFLLRS
LSDSDLLAMRRQGRFLWETYFSTADSIFNTVLAMIRTRIQIPAAPIREEA
AAEIPHRSPPYASPRYLRNFTLTVTDFYRSWNCAPGPFHLFPHTPFDPVL
PSEAKFLGSGTGFRPIGGGAGGSGKEFQAALGGNVPREQFTVVMLTYERE
EVLMNSLERLNGLPYLNKVVVVWNSPKLPSEDLLWPDIGVPIMVVRTEKN
SLNNRFLPWNEIETEAILSIDDDAHLRHDEIMFGFRVWREARDRIVGFPG
RYHAWDIPHQSWLYNSNYSCELSMVLTGAAFFHKYYAYLYSYVMPQAIRD
MVDEYINCEDIAMNFLVSHITRKPPIKVTSRWTFRDDSHFHERHKCINFF
VKVYGYMPLLYTQFRVDSVLFKTRLPHDKTKCFKFI
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain7aua Chain D Residue 4 [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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PDB7aua The structure of EXTL3 helps to explain the different roles of bi-domain exostosins in heparan sulfate synthesis.
Resolution2.93 Å
Binding residue
(original residue number in PDB)		H782 S784 H877
Binding residue
(residue number reindexed from 1)		H559 S561 H644
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.223: glucuronosyl-galactosyl-proteoglycan 4-alpha-N- acetylglucosaminyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0001888 glucuronyl-galactosyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase activity
GO:0005515 protein binding
GO:0008375 acetylglucosaminyltransferase activity
GO:0016500 protein-hormone receptor activity
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006486 protein glycosylation
GO:0010838 positive regulation of keratinocyte proliferation
GO:0015012 heparan sulfate proteoglycan biosynthetic process
GO:0030307 positive regulation of cell growth
GO:0045617 negative regulation of keratinocyte differentiation
GO:0050728 negative regulation of inflammatory response
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0106015 negative regulation of inflammatory response to wounding
GO:1900016 negative regulation of cytokine production involved in inflammatory response
GO:2000972 positive regulation of detection of glucose
Cellular Component
GO:0005634 nucleus
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7aua, PDBe:7aua, PDBj:7aua
PDBsum7aua
PubMed35676258
UniProtO43909|EXTL3_HUMAN Exostosin-like 3 (Gene Name=EXTL3)

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