Structure of PDB 7oz1 Chain A Binding Site BS04

Receptor Information
>7oz1 Chain A (length=544) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVNIEFRDLSYSVPEGYKTLLKGISGKFNSGELVAIMGPSGAGKSTLMNI
LAGYRETGMKGAVLINGLPRDLRCFRKVSCYIMQDDMLLPHLTVQEAMMV
SAHLKLQEKDEGRREMVKEILTALGLLSCANTRTGSLSGGQRKRLAIALE
LVNNPPVMFFDQPTSGLDSASCFQVVSLMKGLAQGGRSIICTIHQPSAKL
FELFDQLYVLSQGQCVYRGKVCNLVPYLRDLGLNCPTYHNPADFVMEVAS
GEYGDQNSRLVRAVRSASCLTQFCILFKRTFLSIMRDSVLTHLRITSHIG
IGLLIGLLYLGIGNEAKKVLSNSGFLFFSMLFLMFAALMPTVLTFPLEMG
VFLREHLNYWYSLKAYYLAKTMADVPFQIMFPVAYCSIVYWMTSQPSDAV
RFVLFAALGTMTSLVAQSLGLLIGAASTSLQVATFVGPVTAIPVLLFSGF
FVSFDTIPTYLQWMSYISYVRYGFEGVILSIYGLDREDLHCDIDETCHFQ
KSEAILRELDVENAKLYLDFIVLGIFFISLRLIAYFVLRYKIRA
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7oz1 Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7oz1 Structure of the Human Cholesterol Transporter ABCG1.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		W583 Y586 I587
Binding residue
(residue number reindexed from 1)		W463 Y466 I467
Annotation score3
Enzymatic activity
Enzyme Commision number 7.6.2.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005543 phospholipid binding
GO:0015485 cholesterol binding
GO:0016887 ATP hydrolysis activity
GO:0019534 toxin transmembrane transporter activity
GO:0034041 ABC-type sterol transporter activity
GO:0042803 protein homodimerization activity
GO:0043531 ADP binding
GO:0046982 protein heterodimerization activity
GO:0046983 protein dimerization activity
GO:0090554 phosphatidylcholine floppase activity
GO:0120020 cholesterol transfer activity
GO:0140328 floppase activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006869 lipid transport
GO:0008203 cholesterol metabolic process
GO:0010745 negative regulation of macrophage derived foam cell differentiation
GO:0010875 positive regulation of cholesterol efflux
GO:0010887 negative regulation of cholesterol storage
GO:0010888 negative regulation of lipid storage
GO:0030301 cholesterol transport
GO:0032367 intracellular cholesterol transport
GO:0033344 cholesterol efflux
GO:0033700 phospholipid efflux
GO:0033993 response to lipid
GO:0034204 lipid translocation
GO:0034374 low-density lipoprotein particle remodeling
GO:0034375 high-density lipoprotein particle remodeling
GO:0034436 glycoprotein transport
GO:0042632 cholesterol homeostasis
GO:0042987 amyloid precursor protein catabolic process
GO:0043691 reverse cholesterol transport
GO:0045542 positive regulation of cholesterol biosynthetic process
GO:0050714 positive regulation of protein secretion
GO:0055085 transmembrane transport
GO:0055091 phospholipid homeostasis
GO:0071403 cellular response to high density lipoprotein particle stimulus
GO:0090181 regulation of cholesterol metabolic process
GO:1902004 positive regulation of amyloid-beta formation
Cellular Component
GO:0000139 Golgi membrane
GO:0005739 mitochondrion
GO:0005768 endosome
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0016020 membrane
GO:0055037 recycling endosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7oz1, PDBe:7oz1, PDBj:7oz1
PDBsum7oz1
PubMed34461069
UniProtP45844|ABCG1_HUMAN ATP-binding cassette sub-family G member 1 (Gene Name=ABCG1)

[Back to BioLiP]