Structure of PDB 5kxq Chain B Binding Site BS01

Receptor Information
>5kxq Chain B (length=325) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWDLAGYLLYCPCMGRFGNQADHFLGSLAFAKLLNRTLAVPPWIEYNLHV
SYQKYFKLEPLQAYHRVVSLEDFMENLAPSHWPPEKRVAYCFEVAAQRSP
DKKTCPMKEGNPFGPFWDQFHVSFNKSELFTGISFSASYKEQWTQRFPAK
EHPVLALPGAPAQFPVLEEHRELQKYMVWSDEMVRTGEALISAHLVRPYV
GIHLRIGSDWKNACAMASPQCVGATPLTMTMCLPDLKEIQRAVTLWVRAL
NARSVYIATDSESYVSEIQQLFKVRVVSLKPEVAQIDLYILGQADHFIGN
CVSSFTAFVKRERDLHGRQSSFFGM
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain5kxq Chain B Residue 403 [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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PDB5kxq Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R48 F49 G50 H243 R245 A314 T315 D316 A342 D345 S361 S362 F363
Binding residue
(residue number reindexed from 1)		R16 F17 G18 H203 R205 A258 T259 D260 A284 D287 S303 S304 F305
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.221: peptide-O-fucosyltransferase.
Gene Ontology
Molecular Function
GO:0008417 fucosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0046922 peptide-O-fucosyltransferase activity
Biological Process
GO:0001525 angiogenesis
GO:0001756 somitogenesis
GO:0006004 fucose metabolic process
GO:0006486 protein glycosylation
GO:0006493 protein O-linked glycosylation
GO:0007219 Notch signaling pathway
GO:0007399 nervous system development
GO:0007507 heart development
GO:0008593 regulation of Notch signaling pathway
GO:0036066 protein O-linked fucosylation
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5kxq, PDBe:5kxq, PDBj:5kxq
PDBsum5kxq
PubMed28530709
UniProtQ91ZW2|OFUT1_MOUSE GDP-fucose protein O-fucosyltransferase 1 (Gene Name=Pofut1)

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