Structure of PDB 1jtb Chain A Binding Site BS02

Receptor Information
>1jtb Chain A (length=91) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNCGQVDSKMKPCLTYVQGGPGPSGECCNGVRDLHNQAQSSGDRQTVCNC
LKGIARGIHNLNLNNAASIPSKCNVNVPYTISPDIDCSRIY
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 chain1jtb Chain A Residue 96 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jtb Barley lipid-transfer protein complexed with palmitoyl CoA: the structure reveals a hydrophobic binding site that can expand to fit both large and small lipid-like ligands.
ResolutionN/A
Binding residue
(original residue number in PDB)		V6 M10 L34 H35 V47 L51 I69 P70 V77 Y79 I81
Binding residue
(residue number reindexed from 1)		V6 M10 L34 H35 V47 L51 I69 P70 V77 Y79 I81
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006869 lipid transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1jtb, PDBe:1jtb, PDBj:1jtb
PDBsum1jtb
PubMed9032083
UniProtP07597|NLTP1_HORVU Non-specific lipid-transfer protein 1 (Gene Name=LTP1)

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