5I74: Ts3 human serotonin transporter

X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site. Determined by X-ray diffraction at 3.4 Å resolution. Released 13 Apr 2016.

Method: X-ray diffraction
Resolution: 3.4 Å
Organisms: Homo sapiens, Mus musculus
Chains: 3
Atoms: 7,610
Mol. weight: 110.57 kDa
Ligands: HEX, D12, CLR, NAG
Released: 13 Apr 2016

Explore 5I74 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5I74 contains 54 α-helices and 49 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 40 helices, 8 β-strands

Element	Residues	Length	Sheet
α-helix	85-96	12
α-helix	99-102	4
α-helix	104-111	8
α-helix	114-117	4
α-helix	118-123	6
α-helix	124-129	6
α-helix	130-143	14
α-helix	149-152	4
α-helix	156-158	3
α-helix	159-188	30
α-helix	189-191	3
β-strand	209	1	1
β-strand	225	1	1
α-helix	227-231	5
α-helix	232-237	6
α-helix	239-241	3
β-strand	251	1	2
α-helix	253-267	15
α-helix	274-279	6
α-helix	281-300	20
α-helix	306-313	8
α-helix	323-337	15
α-helix	343-349	7
α-helix	357-389	33
α-helix	394-397	4
α-helix	403-404	2
α-helix	405-410	6
α-helix	411-415	5
α-helix	420-453	34
β-strand	455	1	3
β-strand	458	1	3
α-helix	462-476	15
β-strand	482	1	2
α-helix	485-492	8
α-helix	493-497	5
α-helix	498-514	17
α-helix	518-528	11
α-helix	532-534	3
α-helix	535-539	5
α-helix	540-544	5
α-helix	545-558	14
α-helix	560-563	4
β-strand	564-565	2	4
β-strand	568-569	2	4
α-helix	570-571	2
α-helix	574-586	13
α-helix	588-599	12
α-helix	604-612	9

Chain B: 6 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	22-25	4	5
β-strand	29-31	3	6
β-strand	37-44	8	5
α-helix	48-50	3
β-strand	52-58	7	6
β-strand	64-71	8	6
β-strand	76-79	4	6
β-strand	87-92	6	5
β-strand	97-102	6	5
α-helix	107-109	3
β-strand	111-118	8	6
β-strand	127-128	2	6
β-strand	132-136	5	6
α-helix	140-141	2
β-strand	142	1	7
α-helix	143-144	2
β-strand	145-149	5	8
α-helix	156-157	2
β-strand	160-170	11	8
β-strand	171	1	7
β-strand	176-179	4	9
α-helix	180-182	3
β-strand	189-196	8	8
β-strand	199-209	11	8
β-strand	219-224	6	9
β-strand	229-234	6	9

Chain C: 8 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	25	1	10
β-strand	30-34	5	11
β-strand	39-44	6	10
β-strand	54-58	5	11
β-strand	64-69	6	11
β-strand	74	1	11
β-strand	82-85	4	10
β-strand	90-95	6	10
α-helix	100-102	3
β-strand	105-110	6	11
α-helix	116	1
β-strand	117-118	2	11
β-strand	122-127	6	11
β-strand	131	1	12
α-helix	132-133	2
β-strand	134-138	5	13
α-helix	139-141	3
α-helix	142-146	5
β-strand	149-159	11	13
β-strand	160	1	12
β-strand	165-169	5	14
β-strand	174	1	14
β-strand	179-183	5	13
α-helix	185-187	3
β-strand	193-202	10	13
α-helix	203-206	4
β-strand	212-217	6	14
α-helix	224	1
β-strand	225-229	5	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Sodium-dependent serotonin transporter	A	protein	549	Homo sapiens	P31645 (AlphaFold model)
8B6 antibody, heavy chain	B	protein	221	Mus musculus
8B6 antibody, light chain	C	protein	214	Mus musculus

Sequence of entity 1 (A), FASTA

>5I74_1 Sodium-dependent serotonin transporter (chains A)
GSQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICAQNGGGAFLLPYTIMAIFGGIPLF
YMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTD
QLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISW
QLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIALSVLLVRGATLPGAWRGVLFYL
KPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSF
VSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLIT
LGLDSSFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLE
EYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFII
ASFLMSPPQLRLFQYNYPYWSIILGYAIGTSSFICIPTYIAYRLIITPGTFKERIIKSIT
PETPTLVPR

Sequence of entity 2 (B), FASTA

>5I74_2 8B6 antibody, heavy chain (chains B)
EVQLQQSGPELVKPGASVKISCKASGYTFTDYYMNWVKQSHGKSLEWIGNINPNNGGTSY
NQKFKGKATLTVDKSSTTAYMELRSLTSEDSAVYYCTRSPVRPYYFDYWGQGTTLTVSSA
KTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGL
YTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPSGP

Sequence of entity 3 (C), FASTA

>5I74_3 8B6 antibody, light chain (chains C)
DIVMTQSHKFMSTSVGDRVSITCKASQDVSTAVAWYQQKPGQSPKLLIYSASYRYTGVPD
RFTGSGSGTDFTFTISSVQAEDLAVYYCQQHYSIPRTFGGGTKLEIKRADAAPTVSIFPP
SSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLT
LTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Ligands and cofactors

ID	Name	Formula	Copies
HEX	Hexane	C6 H14	1
D12	Dodecane	C12 H26	1
CLR	Cholesterol	C27 H46 O	1
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	2
69D	(1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-c…	C20 H21 Br N2 O	1

Primary citation

X-ray structures and mechanism of the human serotonin transporter. Coleman, J.A., Green, E.M., Gouaux, E. Nature (2016) 532:334-339. DOI 10.1038/nature17629 · PubMed

Other PDB entries of the same protein (UniProt P31645 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9HCO 2.78 Å, Outward-open structure of human serotonin transporter bound to vilazodone
7TXT 3.0 Å, Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc…
5I6X 3.14 Å, X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the…
5I71 3.15 Å, X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at…
9VWS 3.2 Å, Cryo-EM structure of human serotonin transporter in complex with tesofensine
5I73 3.24 Å, X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at…
9IY7 3.27 Å, Cryo-EM structure of the wild-type human serotonin transporter complexed with S-ketamine
6VRH 3.3 Å, Cryo-EM structure of the wild-type human serotonin transporter complexed with paroxetine…
7LIA 3.3 Å, 5-HT bound serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in…
9PNS 3.4 Å, Structure of human serotonin transporter bound to small molecule zPZd in lipid nanodisc…
5I75 3.49 Å, X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at…
7LI6 3.5 Å, apo SERT reconstituted in lipid nanodisc in KCl

Browse structure collections

About this viewer

MolViewer shows 5I74 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.