5I75

X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Sodium-dependent serotonin transporter	polymer	549	61689.8	1	UniProt (P31645) Pfam (PF00209)	Homo sapiens (Human)	SERT,5HT transporter,5HTT,Solute carrier family 6 member 4
2	B (B)	8B6 antibody, heavy chain	polymer	221	23688.4	1		Mus musculus
3	C (C)	8B6 antibody, light chain	polymer	214	23718.2	1		Mus musculus
4	D (A)	(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	non-polymer		324.4	1	Chemie (68P)
5	E, I (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
6	F (A)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
7	G (A)	TETRADECANE	non-polymer		198.4	1	Chemie (C14)
8	H (A)	(1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile	non-polymer		385.3	1	Chemie (69D)
9	J (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)

Sequence modifications

A: 76 - 618 (UniProt: P31645)

PDB	External Database	Details
Gly 74	-	cloning artifact
Ser 75	-	cloning artifact
Ala 291	Ile 291	engineered mutation
Ser 439	Thr 439	engineered mutation
Ala 554	Cys 554	engineered mutation
Ala 580	Cys 580	engineered mutation
Leu 619	-	cloning artifact
Val 620	-	cloning artifact
Pro 621	-	cloning artifact
Arg 622	-	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	109096.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1760.1
All*	Total formula weight	110856.5

*Water molecules are not included.