8XB3

Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	GFP-MBP-solute carrier family 6 member 2	polymer	1244	138697.0	1	UniProt (P0AEX9) UniProt (P23975) Pfam (PF01547) Pfam (PF00209)	Homo sapiens (human)	MMBP,Maltodextrin-binding protein,Maltose-binding protein,MBP,Norepinephrine transporter,NET,Solute carrier family 6 member 2
2	B (A)	1-[(3-iodanylphenyl)methyl]guanidine	non-polymer		275.1	1	Chemie (YMN)
3	C (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

A: -623 - -328 (PDB: 8XB3)

PDB	External Database	Details
Gly -327	-	linker
Ser -326	-	linker
Met -325	-	linker

A: -324 - 41 (UniProt: P0AEX9)

PDB	External Database	Details
Val -13	Ala 338	conflict
Gly 42	-	linker
Gly 43	-	linker
Leu 44	-	linker
Glu 45	-	linker
Val 46	-	linker
Leu 47	-	linker
Phe 48	-	linker
Gln 49	-	linker
Gly 50	-	linker
Pro 51	-	linker
Glu 52	-	linker
Phe 53	-	linker

A: 54 - 617 (UniProt: P23975)

PDB	External Database	Details
Gly 190	Leu 191	conflict
Gly 190	Asn 192	conflict
Val 190	Gly 193	conflict
Ala 190	Ser 194	conflict
Met 190	Val 195	conflict
Pro 190	Leu 196	conflict
Ala 190	Asn 198	conflict
Glu 190	His 199	conflict
Asp 190	Thr 200	conflict
Asp 190	Lys 201	conflict
Val 190	-	insertion
Val 190	-	insertion
Gly 190	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	138697.0
Non-Polymers*	Number of molecules	2
	Total formula weight	496.3
All*	Total formula weight	139193.3

*Water molecules are not included.