Structure of PDB 4gxg Chain B Binding Site BS01

Receptor Information
>4gxg Chain B (length=207) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLAEHLLKPLPADKQIETGPFLEAVSHLPPFFDCLGSPVFTPIKADISGN
ITKIKAVYDTNPAKFRTLQNILEVEKEMYGAEWPKVGATLALMWLKRGLR
FIQVFLQSICDGERDENHPNLIRVNATKAYEMALKKYHGWIVQKIFQAAL
YAAPYKSDFLKALSKGQNVTEEECLEKIRLFLVNYTATIDVIYEMYTQMN
AELNYKV
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 A 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)		V41 I45 F148
Binding residue
(residue number reindexed from 1)		V39 I43 F146
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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