Structure of PDB 8y2d Chain A Binding Site BS01

Receptor Information

>8y2d Chain A (length=528) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYME
LALGQFNREGAAGVWKICPILKGVGFTVILISLYVGFFYNVIIAWALHYL
FSSFTTELPWIHCNNSWNSPNCSDGTTPAAEYFERGVLHLHQSHGIDDLG
PPRWQLTACLVLVIVLLYFSLWKVWITATMPYVVLTALLLRGVTLPGAID
GIRAYLSVDFYRLCEASVWIDAATQVCFSLGVGFGVLIAFSSYNKFTNNC
YRDAIVTTSINSLTSFSSGFVVFSFLGYMAQKHSVPIGDVAKDGPGLIFI
IYPEAIATLPLSSAWAVVFFIMLLTLGIDSAMGGMESVITGLIDEFQLLH
RHRELFTLFIVLATFLLSLFCVTNGGIYVFTLLDHFAAGTSILFGVLIEA
IGVAWFYGVGQFSDDIQQMTGQRPSLYWRLCWKLVSPCFLLFVVVVSIVT
FRPPHYGAYIFPDWANALGWVIATSSMAMVPIYAAYKFCSLPGSFREKLA
YAIAPEKDRELVDRGEVRQFTLRHWLKV

Ligand information

Ligand ID

LDP

InChI

InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

InChIKey

VYFYYTLLBUKUHU-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	NCCc1ccc(O)c(O)c1
OpenEye OEToolkits 1.5.0	c1cc(c(cc1CCN)O)O
ACDLabs 10.04	Oc1ccc(cc1O)CCN

Formula

C8 H11 N O2

Name

L-DOPAMINE;
DOPAMINE

PDB chain

8y2d 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	8y2d Dopamine reuptake and inhibitory mechanisms in human dopamine transporter
Resolution	2.8 Å
Binding residue (original residue number in PDB)	D79 S149 V152 G153 S422
Binding residue (residue number reindexed from 1)	D12 S82 V85 G86 S330
Annotation score	5

External links

PDB	RCSB:8y2d, PDBe:8y2d, PDBj:8y2d
PDBsum	8y2d
PubMed	39112701
UniProt	Q01959\|SC6A3_HUMAN Sodium-dependent dopamine transporter (Gene Name=SLC6A3)

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