Structure of PDB 2wex Chain A Binding Site BS01

Receptor Information
>2wex Chain A (length=159) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMNQCPEHSQLTTGKEFPEVHLGQWYFIAGAAPTKEELATFDPVDNIVF
NMAAGSAPMQLHLRATIRMKDGLCVPRKWIYHLTEGSTDLRTMKTELFSS
SCPGGIMLNETGQGYQRFLLYNRSPHPPEKCVEEFKSLTSCLDSKAFLLT
PRNQEACEL
Ligand information
Ligand IDGYM
InChIInChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1
InChIKeyDCBSHORRWZKAKO-INIZCTEOSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CCCCCCCCCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 1.6.1CCCCCCCCCCCCCC(=O)OCC(CO)O
ACDLabs 10.04O=C(OCC(O)CO)CCCCCCCCCCCCC
OpenEye OEToolkits 1.6.1CCCCCCCCCCCCCC(=O)OC[C@H](CO)O
CACTVS 3.352CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
FormulaC17 H34 O4
Name(2R)-2,3-dihydroxypropyl tetradecanoate
ChEMBL
DrugBank
ZINCZINC000032840883
PDB chain2wex Chain A Residue 1186 [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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PDB2wex Serendipitous Fatty Acid Binding Reveals the Structural Determinants for Ligand Recognition in Apolipoprotein M.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H43 W47 F63 I69 F71 Y102 E136 Y147
Binding residue
(residue number reindexed from 1)		H22 W26 F42 I48 F50 Y81 E110 Y121
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2wex, PDBe:2wex, PDBj:2wex
PDBsum2wex
PubMed19733574
UniProtO95445|APOM_HUMAN Apolipoprotein M (Gene Name=APOM)

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