Structure of PDB 8y95 Chain A Binding Site BS01

Receptor Information
>8y95 Chain A (length=562) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIA
GMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVI
IAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHTKYSKY
KFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLCLMVVVIVLYFSLWKG
VKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEA
TVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSSINCITSF
VSGFAIFSILGYMAHEHKVNIEDVATEGAGLVFILYPEAISTLSGSTFWA
VVFFVMLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTFGVTFSTFL
LALFCITKGGIYVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDI
QQMMGFRPGLYWRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYIFPPWAN
WVGWGIALSSMVLVPIYVIYKFLSTQGSLWERLAYGITPENEHHLVAQRD
IRQFQLQHWLAI
Ligand information
Ligand IDE5E
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1
InChIKeySFLSHLFXELFNJZ-QMMMGPOBSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1C(C[NH3+])O)O)O
CACTVS 3.385[NH3+]C[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 2.0.6c1cc(c(cc1[C@H](C[NH3+])O)O)O
CACTVS 3.385[NH3+]C[C@H](O)c1ccc(O)c(O)c1
FormulaC8 H12 N O3
NameNoradrenaline
ChEMBL
DrugBank
ZINC
PDB chain8y95 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8y95 Dimerization and antidepressant recognition at noradrenaline transporter
Resolution3.24 Å
Binding residue
(original residue number in PDB)		F72 D75 A145 V148 G149 Y152 S419 S420
Binding residue
(residue number reindexed from 1)		F17 D20 A90 V93 G94 Y97 S364 S365
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003779 actin binding
GO:0005326 neurotransmitter transmembrane transporter activity
GO:0005330 dopamine:sodium symporter activity
GO:0005334 norepinephrine:sodium symporter activity
GO:0005515 protein binding
GO:0008504 monoamine transmembrane transporter activity
GO:0015293 symporter activity
GO:0022857 transmembrane transporter activity
GO:0043014 alpha-tubulin binding
GO:0046872 metal ion binding
GO:0048487 beta-tubulin binding
Biological Process
GO:0006836 neurotransmitter transport
GO:0006865 amino acid transport
GO:0007268 chemical synaptic transmission
GO:0009410 response to xenobiotic stimulus
GO:0015844 monoamine transport
GO:0015874 norepinephrine transport
GO:0035725 sodium ion transmembrane transport
GO:0048265 response to pain
GO:0051583 dopamine uptake involved in synaptic transmission
GO:0051620 norepinephrine uptake
GO:0070050 neuron cellular homeostasis
GO:0098810 neurotransmitter reuptake
Cellular Component
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0030424 axon
GO:0030672 synaptic vesicle membrane
GO:0032809 neuronal cell body membrane
GO:0042734 presynaptic membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8y95, PDBe:8y95, PDBj:8y95
PDBsum8y95
PubMed38750358
UniProtP23975|SC6A2_HUMAN Sodium-dependent noradrenaline transporter (Gene Name=SLC6A2)

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