Structure of PDB 4gxg Chain D Binding Site BS01

Receptor Information
>4gxg Chain D (length=206) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAEHLLKPLPADKQIETGPFLEAVSHLPPFFDCLGSPVFTPIKADISGNI
TKIKAVYDTNPAKFRTLQNILEVEKEMYGAEWPKVGATLALMWLKRGLRF
IQVFLQSICDGERDENHPNLIRVNATKAYEMALKKYHGWIVQKIFQAALY
AAPYKSDFLKALSKGQNVTEEECLEKIRLFLVNYTATIDVIYEMYTQMNA
ELNYKV
Ligand information
Ligand IDEIS
InChIInChI=1S/C36H69NO11S/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(37-32(40)26-24-22-20-17-12-10-8-6-4-2)28-46-36-34(42)35(48-49(43,44)45)33(41)31(27-38)47-36/h23,25,29-31,33-36,38-39,41-42H,3-22,24,26-28H2,1-2H3,(H,37,40)(H,43,44,45)/b25-23+/t29-,30+,31+,33-,34+,35-,36+/m0/s1
InChIKeyFWVDYZZBQLRRDU-AZNTWQPMSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
CACTVS 3.370CCCCCCCCCCCCC/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)CCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O
CACTVS 3.370CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)NC(=O)CCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC=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)CCCCCCCCCCC)O
FormulaC36 H69 N O11 S
NameN-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide
ChEMBL
DrugBank
ZINCZINC000085587883
PDB chain4gxg Chain D Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4gxg Structural insights into lipid-dependent reversible dimerization of human GLTP.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F42 I45 D48 I49 N52 K55 A93 W96 F103 L136 H140 F148 Y207
Binding residue
(residue number reindexed from 1)		F39 I42 D45 I46 N49 K52 A90 W93 F100 L133 H137 F145 Y204
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4gxg, PDBe:4gxg, PDBj:4gxg
PDBsum4gxg
PubMed23519669
UniProtQ9NZD2|GLTP_HUMAN Glycolipid transfer protein (Gene Name=GLTP)

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