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Receptor Information

>1ln3 Chain B (length=203) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FSEEQFWEACAELQQPALAGADWQLLVETSGISIYRLLDKKTGLYEYKVF
GVLEDCSPTLLADIYMDSDYRKQWDQYVKELYEQECNGETVVYWEVKYPF
PMSNRDYVYLRQRRDLDMEGRKIHVILARSTSMPQLGERSGVIRVKQYKQ
SLAIESDGKKGSKVFMYYFDNPGGQIPSWLINWAAKNGVPNFLKDMARAC
QNY

Ligand ID

CPL

InChI

InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1

InChIKey

JLPULHDHAOZNQI-ZTIMHPMXSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC

Formula

C42 H80 N O8 P

Name

1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE

PDB chain

1ln3 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1ln3 Structure of human phosphatidylcholine transfer protein in complex with its ligand.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	L33 I41 Y54 V56 Y72 R78 Y84 W101 Y105 Y114 Y155 Q157 M173 Y175 V196 F199
Binding residue (residue number reindexed from 1)	L26 I34 Y47 V49 Y65 R71 Y77 W94 Y98 Y107 Y148 Q150 M166 Y168 V189 F192
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0005515	protein binding
GO:0008289	lipid binding
GO:0008525	phosphatidylcholine transporter activity
GO:0031210	phosphatidylcholine binding

	Biological Process
GO:0006869	lipid transport
GO:0015914	phospholipid transport
GO:0120163	negative regulation of cold-induced thermogenesis

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

PDB	RCSB:1ln3, PDBe:1ln3, PDBj:1ln3
PDBsum	1ln3
PubMed	12055623
UniProt	Q9UKL6\|PPCT_HUMAN Phosphatidylcholine transfer protein (Gene Name=PCTP)

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Structure of PDB 1ln3 Chain B Binding Site BS01