Structure of PDB 4gh0 Chain A Binding Site BS01

Receptor Information
>4gh0 Chain A (length=200) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPLPADKQIETGPFLEAVSHLPPFFDCLGSPVFTPIKAVISGNITKIKAV
YDTNPAKFRTLQNILEVEKEMYGAEWPKVGATLALMWLKRGLRFIQVFLQ
SICDGERDENHPNLIRVNATKAYEMALKKYHGWIVQKIFQAALYAAPYKS
DFLKALSKGQNVTEEECLEKIRLFLVNYTATIDVIYEMYTQMNAELNYKV
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 chain4gh0 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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PDB4gh0 Structural insights into lipid-dependent reversible dimerization of human GLTP.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		V41 I45 N52 A93 W96 F103 H140 V144 Y207
Binding residue
(residue number reindexed from 1)		V32 I36 N43 A84 W87 F94 H131 V135 Y198
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:4gh0, PDBe:4gh0, PDBj:4gh0
PDBsum4gh0
PubMed23519669
UniProtQ9NZD2|GLTP_HUMAN Glycolipid transfer protein (Gene Name=GLTP)

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