Structure of PDB 3qcu Chain I Binding Site BS01

Receptor Information
>3qcu Chain I (length=219) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLVQSGAEVKKPGESLKISCQAFGYGFINYLIEWIRQMPGQGLEWIGL
INPGSDYTNYNENFKGQATLSADKSSSTAYLQWSSLKASDTAMYFCARRF
GYYGSGNYFDYWGQGTMVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDY
FPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYI
CNVNHKPSNTKVDKRVEPK
Ligand information
Ligand IDNKN
InChIInChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKeyFAZBDRGXCKPVJU-MRXNPFEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
CACTVS 3.370CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)COC(=O)CCCCCCCCCCCCC)(O)O
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
CACTVS 3.370CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
FormulaC17 H35 O7 P
Name(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate;
14:0 LPA;
myristoyl lysophosphatidic acid
ChEMBLCHEMBL1615121
DrugBank
ZINC
PDB chain3qcu Chain I Residue 215 [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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PDB3qcu Biochemical and structural characterization of lysophosphatidic Acid binding by a humanized monoclonal antibody.
Resolution1.979 Å
Binding residue
(original residue number in PDB)		L33 Y56 F96 G97 Y98 Y99 G100 S100A G100B N100C Y100D
Binding residue
(residue number reindexed from 1)		L33 Y57 F100 G101 Y102 Y103 G104 S105 G106 N107 Y108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links