Structure of PDB 8v9q Chain B Binding Site BS02

Receptor Information
>8v9q Chain B (length=449) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGEMPVVIPKEKMKEMFKINQASEMIALNRSLPDVRLEGCKTKVYPDNL
PTTSVVIFHNESTLRTVHSVINRSPRHMIEEIVDASERDFLKRPSYVKKL
KVPVVIREQRSGLIRARLSRGQVTFLDAHCETAGWLEPLLARIKHDRRTV
CPIIDVISDDTFEYMAGSDMTYGFNWKLNFRWYPVPQREMDRRKGDRTLP
VRTPTMALFSIDRDYFQEIGTYDAGMDIWGGENLEISFRIWQCGGTLEIV
TCSHVGHVFRKATPYQIINKNNRRLAEVWMDEFKNFFYIISVTKVDYGDI
SSRLGLRRKLQCKPFSWYLENIYPDSQIPRHYFSLGEIRNVETNQCLDNM
AKENEKVGIFNCHGMGNQVFSYTANKEIRTDDLCLDVSKLNPVTMLKCHH
LKNQLWEDPVKLTLQHVNSNQCLDKAQVPSIRDCTGSRSQQWLLRNVTL
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 chain8v9q Chain B Residue 601 [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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PDB8v9q An unusual dual sugar-binding lectin domain controls the substrate specificity of a mucin-type O-glycosyltransferase.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		H125 D156 R186 S187 H211 H344 R347
Binding residue
(residue number reindexed from 1)		H59 D84 R110 S111 H129 H257 R260
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.41: polypeptide N-acetylgalactosaminyltransferase.
Gene Ontology
Molecular Function
GO:0004653 polypeptide N-acetylgalactosaminyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0030145 manganese ion binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0006486 protein glycosylation
GO:0006493 protein O-linked glycosylation
GO:0018242 protein O-linked glycosylation via serine
GO:0018243 protein O-linked glycosylation via threonine
Cellular Component
GO:0005576 extracellular region
GO:0005794 Golgi apparatus
GO:0016020 membrane
GO:0032580 Golgi cisterna membrane
GO:0048471 perinuclear region of cytoplasm

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8v9q, PDBe:8v9q, PDBj:8v9q
PDBsum8v9q
PubMed38416819
UniProtO08912|GALT1_MOUSE Polypeptide N-acetylgalactosaminyltransferase 1 (Gene Name=Galnt1)

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