Structure of PDB 8wgx Chain A Binding Site BS01

Receptor Information

>8wgx Chain A (length=547) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPL
FYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWS
LYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNKYKFTPAAEFYERGVLH
LHESSGIHDIGLPQWQLLLCLMVVVIVLYFSLWKGVKTSGKVVWITATLP
YFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLG
AGFGVLIAFASYNKFDNNCYRDALLTSSINCITSFVSGFAIFSILGYMAH
EHKVNIEDVATEGAGLVFILYPEAISTLSGSTFWAVVFFVMLLALGLDSS
MGGMEAVITGLADDFQVLKRHRKLFTFGVTFSTFLLALFCITKGGIYVLT
LLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFRPGLYWRLC
WKFVSPAFLLFVVVVSIINFKPLTYDDYIFPPWANWVGWGIALSSMVLVP
IYVIYKFLSTQGSLWERLAYGITPENEHHLVAQRDIRQFQLQHWLAI

Ligand information

Ligand ID

LNR

InChI

InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1

InChIKey

SFLSHLFXELFNJZ-QMMMGPOBSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c(cc1[C@H](CN)O)O)O
CACTVS 3.370	NC[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 1.7.6	c1cc(c(cc1C(CN)O)O)O
ACDLabs 12.01	Oc1ccc(cc1O)C(O)CN
CACTVS 3.370	NC[C@H](O)c1ccc(O)c(O)c1

Formula

C8 H11 N O3

Name

L-NOREPINEPHRINE;
NORADRENALINE

PDB chain

8wgx 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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Structure summary

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PDB	8wgx Molecular basis of human noradrenaline transporter reuptake and inhibition.
Resolution	3.47 Å
Binding residue (original residue number in PDB)	A145 V148 G149 F317 F323 S419 G423
Binding residue (residue number reindexed from 1)	A86 V89 G90 F247 F253 S349 G353
Annotation score	5

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:8wgx, PDBe:8wgx, PDBj:8wgx
PDBsum	8wgx
PubMed	39048818
UniProt	P23975\|SC6A2_HUMAN Sodium-dependent noradrenaline transporter (Gene Name=SLC6A2)

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