Structure of PDB 7oz1 Chain A Binding Site BS01

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 IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7oz1 Chain A Residue 701 [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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PDB7oz1 Structure of the Human Cholesterol Transporter ABCG1.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		E88 K98 L100 G123 K124 S125 Q242
Binding residue
(residue number reindexed from 1)		E15 K18 L20 G43 K44 S45 Q162
Annotation score5
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)

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