Structure of PDB 2iu9 Chain B Binding Site BS01

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 A Residue 1350 [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)		D240 M294 A295
Binding residue
(residue number reindexed from 1)		D240 M294 A295
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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