Structure of PDB 6wj9 Chain A Binding Site BS02

Receptor Information
>6wj9 Chain A (length=307) Species: 220664 (Pseudomonas protegens Pf-5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERILVTGGAGFIGSHLVDALLAKGYAVRVLDDLSTGKVGNLPMGDAGLEL
LVGDAADAALLADAVQGCDAVVHLAAVASVQASVEDPVATHQSNFIATLR
LCEAMTAAGIRRVVFASAAAVYGNNGEGTPIAEDTPKSPLTPFAADKLAS
EYYLDFYRRQHGLEPVILRFFNIFGPRQDPSSPYSGVISIFSERAKAGRP
ITLFGDGGQTRDFVYVADLVKILVQGLESPAPAADATNVGLGGVTTLNDL
IGALQQISGKPLQVSHGATRSGDIRHSKADNRRLRERFDLGTPSSLAEGL
ERLYRSL
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 chain6wj9 Chain A Residue 402 [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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PDB6wj9 PelX is a UDP-N-acetylglucosamine C4-epimerase involved in Pel polysaccharide-dependent biofilm formation.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		N175 G189 V190 T205 L206 F207 R214 L250 D276
Binding residue
(residue number reindexed from 1)		N172 G186 V187 T202 L203 F204 R211 L247 D273
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A121 A122 A123 F146 K150
Catalytic site (residue number reindexed from 1) A118 A119 A120 F143 K147
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:6wj9, PDBe:6wj9, PDBj:6wj9
PDBsum6wj9
PubMed32601062
UniProtQ4KCF6

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