Structure of PDB 7aua Chain A Binding Site BS02

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 IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain7aua Chain A Residue 1002 [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)		L668 T669 Y670 R672 D745 D746
Binding residue
(residue number reindexed from 1)		L445 T446 Y447 R449 D522 D523
Annotation score3
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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