Structure of PDB 3h4i Chain A Binding Site BS01

Receptor Information
>3h4i Chain A (length=392) Species: 1867,31958 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVLITGCGSRGDTEPLVALAARLRELGADARMCLPPDYVERCAEVGVPMV
PVGRAVRAGAREPGELPPGAAEVVTEVVAEWFDKVPAAIEGCDAVVTTGL
LPAAVAVRSMAEKLGIPYRYTVLSPDHLPSEQSQAERDMYNQGADRLFGD
AVNSHRASIGLPPVEHLYDYGYTDQPWLAADPVLSPLRPTDLGTVQTGAW
ILPDQRPLSAELEGFLRAGSPPVYVGFGSGPAPAEAARVAIEAVRAQGRR
VVLSSGWAGLGRIDEGDDCLVVGEVNHQVLFGRVAAVVHHGGAGTTTAVT
RAGAPQVVVPQKADQPYYAGRVADLGVGVAHDGPTPTVESLSAALATALT
PGIRARAAAVAGTIRTDGTTVAAKLLLEAISRAKLAAALEHH
Ligand information
Ligand IDU2F
InChIInChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyNGTCPFGWXMBZEP-NQQHDEILSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O
CACTVS 3.341OC[C@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O
CACTVS 3.341OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O
FormulaC15 H23 F N2 O16 P2
NameURIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
ChEMBLCHEMBL593830
DrugBankDB03488
ZINCZINC000016051573
PDB chain3h4i Chain A Residue 547 [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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PDB3h4i Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Resolution1.3 Å
Binding residue
(original residue number in PDB)		S10 R11 G12 D13 S230 E275 V276 H278 H291 G293 A294 G295 T296 D315 Q316
Binding residue
(residue number reindexed from 1)		S9 R10 G11 D12 S229 E274 V275 H277 H290 G292 A293 G294 T295 D314 Q315
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.-.-
2.4.1.311: dTDP-epi-vancosaminyltransferase.
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030259 lipid glycosylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3h4i, PDBe:3h4i, PDBj:3h4i
PDBsum3h4i
PubMed19549605
UniProtP96558|GTFA_AMYOR dTDP-epi-vancosaminyltransferase (Gene Name=gtfA);
Q6ZZJ7

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