Structure of PDB 7n6q Chain C Binding Site BS02

Receptor Information
>7n6q Chain C (length=375) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQKVFIIRKSLLDELMEVQHFRTIYHMFIAGLCVFIISTLAIDFILLEFD
LLIFSFGQLPLALVTWVPMFLSTLLAPYQALRLWARGGLGCALLAAHAVV
LCALPVHVAVEHQLPPASRCVLVFEQVRFLMKSYSFLREAVPGILRAAPS
FSSYLYFLFCPTLIYRETYPRTPYVRWNYVAKNFAQALGCVLYACFILGR
LCVPVFANMSREPFSTRALVLSILHATLPGIFMLLLIFFAFLHCWLNAFA
EMLRFGDRMFYRDWWNSTSFSNYYRTWNVVVHDWLYSYVYQDGLRLLGAR
ARGVAMLGVFLVSAVAHEYIFCFVLGFFYPVMLILFLVIGGMLNFMAWNV
LMWTMLFLGQGIQVSLYCQEWYARR
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 chain7n6q Chain C Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7n6q Structure of PPPA bound human ACAT2
Resolution3.87 Å
Binding residue
(original residue number in PDB)		F160 F234 E235 A311 C312 F358 W362
Binding residue
(residue number reindexed from 1)		F56 F124 E125 A194 C195 F241 W245
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.26: sterol O-acyltransferase.
Gene Ontology
Molecular Function
GO:0000062 fatty-acyl-CoA binding
GO:0004772 sterol O-acyltransferase activity
GO:0005515 protein binding
GO:0008374 O-acyltransferase activity
GO:0015485 cholesterol binding
GO:0016746 acyltransferase activity
GO:0034736 cholesterol O-acyltransferase activity
Biological Process
GO:0008203 cholesterol metabolic process
GO:0010742 macrophage derived foam cell differentiation
GO:0010878 cholesterol storage
GO:0030299 intestinal cholesterol absorption
GO:0033344 cholesterol efflux
GO:0034379 very-low-density lipoprotein particle assembly
GO:0034383 low-density lipoprotein particle clearance
GO:0042632 cholesterol homeostasis
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005903 brush border
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7n6q, PDBe:7n6q, PDBj:7n6q
PDBsum7n6q
PubMed
UniProtO75908|SOAT2_HUMAN Sterol O-acyltransferase 2 (Gene Name=SOAT2)

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