Structure of PDB 6irt Chain B Binding Site BS01

Receptor Information
>6irt Chain B (length=457) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLLNGVAIIVGTIIGSGIFVTPTGVLKEAGSPGLALVVWAACGVFSIVGA
LCYAELGTTISKSGGDYAYMLEVYGSLPAFLKLWIELLIIRPSSQYIVAL
VFATYLLKPLFPTCPVPEEAAKLVACLCVLLLTAVNCYSVKAATRVQDAF
AAAKLLALALIILLGFVQIGKGDVSNLDPNFSFEGTKLDVGNIVLALYSG
LFAYGGWNYLNFVTEEMINPYRNLPLAIIISLPIVTLVYVLTNLAYFTTL
STEQMLSSEAVAVDFGNYHLGVMSWIIPVFVGLSCFGSVNGSLFTSSRLF
FVGSREGHLPSILSMIHPQLLTPVPSLVFTCVMTLLYAFSKDIFSVINFF
SFFNWLCVALAIIGMIWLRHRKPELERPIKVNLALPVFFILACLFLIAVS
FWKTPVECGIGFTIILSGLPVYFFGVWWKNKPKWLLQGIFSTTVLCQKLM
QVVPQET
Ligand information
Ligand IDAUU
InChIInChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m1/s1
InChIKeyMPUVBVXDFRDIPT-CHKWXVPMSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[C]1(C[CH]2CC[CH]1C2)C(O)=O
OpenEye OEToolkits 2.0.6C1CC2C[C@H]1[C@@](C2)(C(=O)O)N
OpenEye OEToolkits 2.0.6C1CC2CC1CC2(C(=O)O)N
ACDLabs 12.01C(C1(C2CCC(C1)C2)N)(=O)O
CACTVS 3.385N[C@]1(C[C@@H]2CC[C@H]1C2)C(O)=O
FormulaC8 H13 N O2
Name(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000008575885
PDB chain6irt Chain B Residue 603 [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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PDB6irt Structure of the human LAT1-4F2hc heteromeric amino acid transporter complex.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G65 G67 S144 F252 G255
Binding residue
(residue number reindexed from 1)		G15 G17 S94 F202 G205
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.81,IC50=155.10uM
BindingDB: IC50=112000nM
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:6irt, PDBe:6irt, PDBj:6irt
PDBsum6irt
PubMed30867591
UniProtQ01650|LAT1_HUMAN Large neutral amino acids transporter small subunit 1 (Gene Name=SLC7A5)

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