Structure of PDB 7mfi Chain A Binding Site BS01

Receptor Information
>7mfi Chain A (length=164) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGARRGLEWFLGFYFLSHIPITLLMDLQGVLPRDLYPVELRNLQQWYIEE
FKDPLLQTPPAWFKSFLFCELVFQLPFFPIAAYAFFKGGCKWIRTPAIIY
SVHTMTTLIPILSTLLLDDFSKSHFRGQGPKTFQERLFLISVYIPYFLIP
LILLLFMVRNPYYK
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7mfi Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mfi Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		H21 D29 Y50 L59 F66 T110 L111 Y147 Y150
Binding residue
(residue number reindexed from 1)		H18 D26 Y47 L56 F63 T107 L108 Y143 Y146
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008142 oxysterol binding
GO:0015485 cholesterol binding
Biological Process
GO:0032377 regulation of intracellular lipid transport
GO:0032383 regulation of intracellular cholesterol transport
GO:0042632 cholesterol homeostasis
GO:0090303 positive regulation of wound healing
GO:0140077 positive regulation of lipoprotein transport
Cellular Component
GO:0005634 nucleus
GO:0005764 lysosome
GO:0005783 endoplasmic reticulum
GO:0005791 rough endoplasmic reticulum
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030867 rough endoplasmic reticulum membrane
GO:0031965 nuclear membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7mfi, PDBe:7mfi, PDBj:7mfi
PDBsum7mfi
PubMed34880501
UniProtQ3MHW7|SGMR2_BOVIN Sigma intracellular receptor 2 (Gene Name=TMEM97)

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