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Receptor Information

>4gjq Chain A (length=198) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LLKPLPADKQIETGPFLEAVSHLPPFFDCLGSPVFTPIKADISGNITKIK
AVYDTNPAKFRTLQNILEVEKEMYGAEWPKVGATLALMWLKRGLRFIQVF
LQSICDGERDENHPNLIRVNATKAYEMALKKYHGWIVQKIFQAALYAAPY
KSDFLKALSVTEEECLEKIRLFLVNYTATIDVIYEMYTQMNAELNYKV

Ligand ID

CIS

InChI

InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1

InChIKey

ZZQWQNAZXFNSEP-JCOQVFCVSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)O
CACTVS 3.341	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC
ACDLabs 10.04	O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O
CACTVS 3.341	CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC

Formula

C48 H91 N O11 S

Name

(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE;
(2S,3R,4E)-N-NERVONIC-1-[BETA-D-(3-SULFATE)-GALACTOPYRANOSYL]-2-AMINO-OCTADECENE-3-OL;
CIS-TETRACOSENOYL SULFATIDE

PDB chain

4gjq Chain A 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	4gjq Structural insights into lipid-dependent reversible dimerization of human GLTP.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	I45 D48 N52 K55 A93 W96 F103 L136 H140 Y207
Binding residue (residue number reindexed from 1)	I38 D41 N45 K48 A86 W89 F96 L129 H133 Y196
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0005515	protein binding
GO:0008289	lipid binding
GO:0017089	glycolipid transfer activity
GO:0042802	identical protein binding
GO:0051861	glycolipid binding
GO:0120013	lipid transfer activity
GO:1902387	ceramide 1-phosphate binding
GO:1902388	ceramide 1-phosphate transfer activity

	Biological Process
GO:0006869	lipid transport
GO:0035627	ceramide transport
GO:0035902	response to immobilization stress
GO:0046836	glycolipid transport
GO:0120009	intermembrane lipid transfer
GO:1902389	ceramide 1-phosphate transport

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

PDB	RCSB:4gjq, PDBe:4gjq, PDBj:4gjq
PDBsum	4gjq
PubMed	23519669
UniProt	Q9NZD2\|GLTP_HUMAN Glycolipid transfer protein (Gene Name=GLTP)

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Structure of PDB 4gjq Chain A Binding Site BS01