Structure of PDB 6z2f Chain A Binding Site BS01

Receptor Information
>6z2f Chain A (length=469) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NINDLKLTLSKAGQEHLLRFWNELEEAQQVELYAELQAMNFEELNFFFQK
AIEMEPVPRDQLQAWESEGLFQISQNKVAVLLLARLGVAYPKGMYDVGLP
SRKTLFQIQAERILKLQQVAEKYYGNKCIIPWYIMTSGTMESTKEFFTKH
KYFGLKKENVIFFQQGMLPAMSFDGKIILEEKNKVSMAPDGNGGLYRTLA
AQNIVEDMEQRGIWSIHVYCVDNILVKVADPRFIGFCIQKGADCGAKVVE
KTNPTEPVGVVCRVGVYQVVEYSEISLATAQKRSSDGRLLFNAGNIANHF
FTVPFLRDVVNVYEPQLQHHVAQKKIPYVDTQGQLIKPDKPNGIKMEKFV
FDIFQFAKKFVVYEVLREDEFSPLKNADSQNGKDNPTTARHALMSLHHCW
VLNAGGHFIDENGSRLPAIPRLKDANDVPIQCEISPLISYAGEGLESYVA
DKEFHAPLIIDENGVHELV
Ligand information
Ligand IDUD1
InChIInChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
InChIKeyLFTYTUAZOPRMMI-CFRASDGPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
FormulaC17 H27 N3 O17 P2
NameURIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
ChEMBLCHEMBL388154
DrugBankDB03397
ZINCZINC000008551100
PDB chain6z2f Chain A 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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PDB6z2f Crystal structure of human AGX1 mutant complexed with UDPGLCNAC
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L108 Q196 G222 N223 C251 V252 V289 G290 E303 Y304 N327 F381 F383 F403 K407
Binding residue
(residue number reindexed from 1)		L83 Q165 G191 N192 C220 V221 V258 G259 E271 Y272 N295 F349 F351 F371 K375
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.4.-
2.7.7.23: UDP-N-acetylglucosamine diphosphorylase.
2.7.7.83: UDP-N-acetylgalactosamine diphosphorylase.
Gene Ontology
Molecular Function
GO:0003977 UDP-N-acetylglucosamine diphosphorylase activity
GO:0016740 transferase activity
GO:0016779 nucleotidyltransferase activity
GO:0042802 identical protein binding
GO:0052630 UDP-N-acetylgalactosamine diphosphorylase activity
GO:0070569 uridylyltransferase activity
GO:0141090 protein serine pyrophosphorylase activity
Biological Process
GO:0006048 UDP-N-acetylglucosamine biosynthetic process
GO:0032481 positive regulation of type I interferon production
GO:0045087 innate immune response
GO:0140374 antiviral innate immune response
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6z2f, PDBe:6z2f, PDBj:6z2f
PDBsum6z2f
PubMed
UniProtQ16222|UAP1_HUMAN UDP-N-acetylhexosamine pyrophosphorylase (Gene Name=UAP1)

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