Structure of PDB 7dsk Chain B Binding Site BS02

Receptor Information
>7dsk Chain B (length=464) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTLQRNITLLNGVAIIVGTIIGSGIFVTPTGVLKEAGSPGLALVVWAACG
VFSIVGALCYAELGTTISKSGGDYAYMLEVYGSLPAFLKLWIELLIIRPS
SQYIVALVFATYLLKPLFPTCPVPEEAAKLVACLCVLLLTAVNCYSVKAA
TRVQDAFAAAKLLALALIILLGFVQIGKGDVSNLDPNFSFEGTKLDVGNI
VLALYSGLFAYGGWNYLNFVTEEMINPYRNLPLAIIISLPIVTLVYVLTN
LAYFTTLSTEQMLSSEAVAVDFGNYHLGVMSWIIPVFVGLSCFGSVNGSL
FTSSRLFFVGSREGHLPSILSMIHPQLLTPVPSLVFTCVMTLLYAFSKDI
FSVINFFSFFNWLCVALAIIGMIWLRHRKPELERPIKVNLALPVFFILAC
LFLIAVSFWKTPVECGIGFTIILSGLPVYFFGVWWKNKPKWLLQGIFSTT
VLCQKLMQVVPQET
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 chain7dsk Chain B Residue 602 [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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PDB7dsk Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H367 M500
Binding residue
(residue number reindexed from 1)		H324 M457
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015171 amino acid transmembrane transporter activity
GO:0015173 aromatic amino acid transmembrane transporter activity
GO:0015175 neutral L-amino acid transmembrane transporter activity
GO:0015179 L-amino acid transmembrane transporter activity
GO:0015190 L-leucine transmembrane transporter activity
GO:0015196 L-tryptophan transmembrane transporter activity
GO:0015297 antiporter activity
GO:0015349 thyroid hormone transmembrane transporter activity
GO:0022857 transmembrane transporter activity
GO:0042605 peptide antigen binding
Biological Process
GO:0002720 positive regulation of cytokine production involved in immune response
GO:0003333 amino acid transmembrane transport
GO:0006865 amino acid transport
GO:0010507 negative regulation of autophagy
GO:0010629 negative regulation of gene expression
GO:0014850 response to muscle activity
GO:0015804 neutral amino acid transport
GO:0015807 L-amino acid transport
GO:0015818 isoleucine transport
GO:0015820 L-leucine transport
GO:0015821 methionine transport
GO:0015823 phenylalanine transport
GO:0015824 proline transport
GO:0015827 tryptophan transport
GO:0015828 tyrosine transport
GO:0015829 valine transport
GO:0032328 alanine transport
GO:0032729 positive regulation of type II interferon production
GO:0032740 positive regulation of interleukin-17 production
GO:0032753 positive regulation of interleukin-4 production
GO:0042149 cellular response to glucose starvation
GO:0042908 xenobiotic transport
GO:0055085 transmembrane transport
GO:0055093 response to hyperoxia
GO:0060252 positive regulation of glial cell proliferation
GO:0070327 thyroid hormone transport
GO:0071222 cellular response to lipopolysaccharide
GO:0071230 cellular response to amino acid stimulus
GO:0089718 amino acid import across plasma membrane
GO:0097421 liver regeneration
GO:0150104 transport across blood-brain barrier
GO:1902024 L-histidine transport
GO:1902475 L-alpha-amino acid transmembrane transport
GO:1903577 cellular response to L-arginine
GO:1903801 L-leucine import across plasma membrane
GO:1904556 L-tryptophan transmembrane transport
GO:1905460 negative regulation of vascular associated smooth muscle cell apoptotic process
GO:1905534 positive regulation of L-leucine import across plasma membrane
Cellular Component
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009925 basal plasma membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane
GO:0031528 microvillus membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0070062 extracellular exosome
GO:0098591 external side of apical plasma membrane
GO:1990184 amino acid transport complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7dsk, PDBe:7dsk, PDBj:7dsk
PDBsum7dsk
PubMed33758168
UniProtQ01650|LAT1_HUMAN Large neutral amino acids transporter small subunit 1 (Gene Name=SLC7A5)

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