Structure of PDB 7li9 Chain A Binding Site BS02

Receptor Information
>7li9 Chain A (length=539) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFG
GIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNT
IMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPA
EEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSG
KVVWVTATFPYIILSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWID
AAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFV
IFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFF
LMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSL
VTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEM
LGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILG
YCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETP
Ligand information
Ligand IDSRO
InChIInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChIKeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)c(c[nH]2)CCN
ACDLabs 10.04Oc1cc2c(cc1)ncc2CCN
CACTVS 3.341NCCc1c[nH]c2ccc(O)cc12
FormulaC10 H12 N2 O
NameSEROTONIN;
3-(2-AMINOETHYL)-1H-INDOL-5-OL
ChEMBLCHEMBL39
DrugBankDB08839
ZINCZINC000000057058
PDB chain7li9 Chain A Residue 910 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7li9 Illumination of serotonin transporter mechanism and role of the allosteric site.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		E494 Y495 P499 F556 S559 P561
Binding residue
(residue number reindexed from 1)		E416 Y417 P421 F478 S481 P483
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:7li9, PDBe:7li9, PDBj:7li9
PDBsum7li9
PubMed34851672
UniProtP31645|SC6A4_HUMAN Sodium-dependent serotonin transporter (Gene Name=SLC6A4)

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