Structure of PDB 5e9u Chain A Binding Site BS01

Receptor Information
>5e9u Chain A (length=503) Species: 1302 (Streptococcus gordonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVYNINLGIGWASSGVEYAQAYRAQILRRIQQPAKFIFMDMILADNIQH
LTENIGFLDEEIIWLYNYFTDIKIAPTTVTLDQVLAQVAGQPERSEKEGK
IVRYFYPQDDQFITCYLRQEDQDFVEHVEYVSRGRLIRKDYFSYVRYASE
YFAPHNDAATLYQRRFYHEDGSVAYDMLIEDGQEKLYRFPDRIFYSKAEL
VRYFLQCLQLQADDVVILDRETGIGQVVFEESQKAKLGVVVHAEHFSENA
SSDDYILWNNFYDYQFTNADKVDFFIVATEAQKRILEQQFQHYSDKQPQI
ATIPVGSLDQLTYPKEPRKPYSMITASRLATEKHIDWLVAATVQAHAQLP
ELTLDIYGKGSEEDKLRRRIEEAGAQDYIRLKGHADLSQIYAGYELYLTA
STSEGFGLTLMEAVGSGLPLIGFDVRYGNQTFIDDGKNGYLLPVSSNHVE
DQIIAAFVEKIIALFSQGRQQEMSQHSYQVAENYLTSRVEAAWTQLLKEV
RDD
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 chain5e9u Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5e9u Mechanism of a cytosolic O-glycosyltransferase essential for the synthesis of a bacterial adhesion protein.
Resolution3.84 Å
Binding residue
(original residue number in PDB)		G16 Y19 R328 H384 A385 L387 L408 T409
Binding residue
(residue number reindexed from 1)		G16 Y19 R328 H384 A385 L387 L408 T409
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006486 protein glycosylation
GO:0006493 protein O-linked glycosylation
GO:0018242 protein O-linked glycosylation via serine
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0017122 protein N-acetylglucosaminyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5e9u, PDBe:5e9u, PDBj:5e9u
PDBsum5e9u
PubMed26884191
UniProtQ9AET5|GTFA_STRGN UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase GtfA subunit (Gene Name=gtfA)

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