Structure of PDB 6lb2 Chain A Binding Site BS02

Receptor Information
>6lb2 Chain A (length=277) Species: 9544 (Macaca mulatta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGSHSMRYFSTTVSRPGRGEPRFIVVGYVDDTQFVRFDSDAASPKMEPRA
PWMEQEGPEYWEEQTRRVKDAAQTFRVSLGNLRGYYNQSEAGSHTLQTMS
GCDLGPDGRLLRGYYQQAYDGRDYIALNEDLRSWTAADEAAQNTQRKWEA
AGVAEQWRAYLEGECLESLRRYLENGKETLQRAEPPKTHVTHHPVSDHEA
TLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPGGDGTFQKWGAVVV
PSGEEQRYTCHVQHEGLPEPLTLRWEP
Ligand information
Ligand IDEKG
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1
InChIKeyQHZLMUACJMDIAE-GOSISDBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
ACDLabs 12.01
OpenEye OEToolkits 2.0.6		CCCCCCCCCCCCCCCC(=O)OCC(CO)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO
FormulaC19 H38 O4
Name(2R)-2,3-dihydroxypropyl hexadecanoate
ChEMBL
DrugBank
ZINCZINC000032840892
PDB chain6lb2 Chain A Residue 322 [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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PDB6lb2 Crystal structures of lysophospholipid-bound MHC class I molecules.
Resolution1.69381 Å
Binding residue
(original residue number in PDB)		Y7 S9 V24 Q63 R66 T97 S99 W156 Y159
Binding residue
(residue number reindexed from 1)		Y8 S10 V25 Q64 R67 T98 S100 W157 Y160
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links