Structure of PDB 8wtv Chain A Binding Site BS02

Receptor Information

>8wtv Chain A (length=536) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALG
QYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSF
TLNLPWTDCGHTWNSPNCTDPSKYKFTPAAEFYERGVLHLHESSGIHDIG
LPQWQLLLCLMVVVIVLYFSLWKGVKTSGKVVWITATLPYFVLFVLLVHG
VTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFAS
YNKFDNNCYRDALLTSSINCITSFVSGFAIFSILGYMAHEHKVNIEDVAT
EGAGLVFILYPEAISTLSGSTFWAVVFFVMLLALGLDSSMGGMEAVITGL
ADDFQVLKRHRKLFTFGVTFSTFLLALFCITKGGIYVLTLLDTFAAGTSI
LFAVLMEAIGVSWFYGVDRFSNDIQQMMGFRPGLYWRLCWKFVSPAFLLF
VVVVSIINFKPLTYDDYIFPPWANWVGWGIALSSMVLVPIYVIYKFLSTQ
GSLWERLAYGITPENEHHLVAQRDIRQFQLQHWLAI

Ligand information

Ligand ID

E5E

InChI

InChI=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

InChIKey

SFLSHLFXELFNJZ-QMMMGPOBSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1C(C[NH3+])O)O)O
CACTVS 3.385	[NH3+]C[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 2.0.6	c1cc(c(cc1[C@H](C[NH3+])O)O)O
CACTVS 3.385	[NH3+]C[C@H](O)c1ccc(O)c(O)c1

Formula

C8 H12 N O3

Name

Noradrenaline

ChEMBL

DrugBank

ZINC

PDB chain

8wtv Chain A Residue 705 [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	8wtv Transport and inhibition mechanisms of the human noradrenaline transporter.
Resolution	2.7 Å
Binding residue (original residue number in PDB)	Y87 E377 E382
Binding residue (residue number reindexed from 1)	Y20 E296 E301
Annotation score	5

External links

PDB	RCSB:8wtv, PDBe:8wtv, PDBj:8wtv
PDBsum	8wtv
PubMed	39085602
UniProt	P23975\|SC6A2_HUMAN Sodium-dependent noradrenaline transporter (Gene Name=SLC6A2)

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