Structure of PDB 2iu9 Chain B Binding Site BS03

Receptor Information
>2iu9 Chain B (length=345) Species: 813 (Chlamydia trachomatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSQSTYSLEQLADFLKVEFQGNGATLLSGVEEIEEAKTAHITFLDNEKYA
KHLKSSEAGAIIISRTQFQKYRDLNKNFLITSESPSLVFQKCLELFITPV
DSGFPGIHPTAVIHPTAIIEDHVCIEPYAVVCQHAHVGSACHIGSGSVIG
AYSTVGEHSYIHPRVVIRERVSIGKRVIIQPGAVIGSCGFGYVTSAFGQH
KHLKHLGKVIIEDDVEIGANTTIDRGRFKHSVVREGSKIDNLVQIAHQVE
VGQHSMIVAQAGIAGSTKIGNHVIIGGQAGITGHICIADHVIMMAQTGVT
KSITSPGIYGGAPARPYQEIHRQVAKVRNLPRLEERIAALEKLVQ
Ligand information
Ligand IDPLM
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(O)=O
FormulaC16 H32 O2
NamePALMITIC ACID
ChEMBLCHEMBL82293
DrugBankDB03796
ZINCZINC000006072466
PDB chain2iu9 Chain B Residue 1348 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iu9 Structure and Reactivity of Lpxd, the N-Acyltransferase of Lipid a Biosynthesis
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Q244 A246 G262 I263 A264 G280 I281 G298 A312
Binding residue
(residue number reindexed from 1)		Q244 A246 G262 I263 A264 G280 I281 G298 A312
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2iu9, PDBe:2iu9, PDBj:2iu9
PDBsum2iu9
PubMed17360522
UniProtP0CD76|LPXD_CHLTR UDP-3-O-acylglucosamine N-acyltransferase (Gene Name=lpxD)

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