Structure of PDB 2iu9 Chain C Binding Site BS02
Receptor Information
>2iu9 Chain C (length=346) Species:
813
(Chlamydia trachomatis) [
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QSTYSLEQLADFLKVEFQGNGATLLSGVEEIEEAKTAHITFLDNEKYAKH
LKSSEAGAIIISRTQFQKYRDLNKNFLITSESPSLVFQKCLELFITPVDS
GFPGIHPTAVIHPTAIIEDHVCIEPYAVVCQHAHVGSACHIGSGSVIGAY
STVGEHSYIHPRVVIRERVSIGKRVIIQPGAVIGSCGFGYVTSAFGQHKH
LKHLGKVIIEDDVEIGANTTIDRGRFKHSVVREGSKIDNLVQIAHQVEVG
QHSMIVAQAGIAGSTKIGNHVIIGGQAGITGHICIADHVIMMAQTGVTKS
ITSPGIYGGAPARPYQEIHRQVAKVRNLPRLEERIAALEKLVQKLE
Ligand information
Ligand ID
UD1
InChI
InChI=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
InChIKey
LFTYTUAZOPRMMI-CFRASDGPSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC(=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 3.341
CC(=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 10.04
O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
CACTVS 3.341
CC(=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 1.5.0
CC(=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
Formula
C17 H27 N3 O17 P2
Name
URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
ChEMBL
CHEMBL388154
DrugBank
DB03397
ZINC
ZINC000008551100
PDB chain
2iu9 Chain C Residue 1351 [
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Receptor-Ligand Complex Structure
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PDB
2iu9
Structure and Reactivity of Lpxd, the N-Acyltransferase of Lipid a Biosynthesis
Resolution
3.1 Å
Binding residue
(original residue number in PDB)
E32 I33 E34 F43 L44 D45 Y49
Binding residue
(residue number reindexed from 1)
E30 I31 E32 F41 L42 D43 Y47
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.3.1.191
: UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase.
Gene Ontology
Molecular Function
GO:0016410
N-acyltransferase activity
GO:0016746
acyltransferase activity
GO:0016747
acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0009245
lipid A biosynthetic process
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:2iu9
,
PDBe:2iu9
,
PDBj:2iu9
PDBsum
2iu9
PubMed
17360522
UniProt
P0CD76
|LPXD_CHLTR UDP-3-O-acylglucosamine N-acyltransferase (Gene Name=lpxD)
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