Structure of PDB 7mgw Chain A Binding Site BS02

Receptor Information
>7mgw Chain A (length=537) 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
YCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPE
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 chain7mgw Chain A Residue 712 [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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PDB7mgw Illumination of serotonin transporter mechanism and role of the allosteric site.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		Y95 D98 A169 I172 A173 F335 F341 S438 T439 G442
Binding residue
(residue number reindexed from 1)		Y17 D20 A91 I94 A95 F257 F263 S360 T361 G364
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:7mgw, PDBe:7mgw, PDBj:7mgw
PDBsum7mgw
PubMed34851672
UniProtP31645|SC6A4_HUMAN Sodium-dependent serotonin transporter (Gene Name=SLC6A4)

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