Structure of PDB 8zpb Chain A Binding Site BS01

Receptor Information

>8zpb Chain A (length=551) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLI
IAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYN
VIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLKYKFTPAAEFYER
GVLHLHESSGIHDIGLPQWQLLLCLMVVVIVLYFSLWKGVKTSGKVVWIT
ATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIF
FSLGAGFGVLIAFASYNKFDNNCYRDALLTSSINCITSFVSGFAIFSILG
YMAHEHKVNIEDVATEGAGLVFILYPEAISTLSGSTFWAVVFFVMLLALG
LDSSMGGMEAVITGLADDFQVLKRHRKLFTFGVTFSTFLLALFCITKGGI
YVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFRPGLY
WRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYIFPPWANWVGWGIALSSM
VLVPIYVIYKFLSTQGSLWERLAYGITPENEHHLVAQRDIRQFQLQHWLA
I

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

8zpb Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	8zpb Mechanistic insights of substrate transport and inhibitor binding revealed by high-resolution structures of human norepinephrine transporter.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	F72 D75 A145 V148 G149 Y152 F317 F323 S419 S420 G423
Binding residue (residue number reindexed from 1)	F19 D22 A92 V95 G96 Y99 F251 F257 S353 S354 G357
Annotation score	5

External links

PDB	RCSB:8zpb, PDBe:8zpb, PDBj:8zpb
PDBsum	8zpb
PubMed	39223283
UniProt	P23975\|SC6A2_HUMAN Sodium-dependent noradrenaline transporter (Gene Name=SLC6A2)

[Back to BioLiP]