5MRH

Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Sortilin	polymer	696	77790.9	1	UniProt (Q99523) Pfam (PF15902) Pfam (PF15901)	Homo sapiens (Human)	100 kDa NT receptor,Glycoprotein 95,Gp95,Neurotensin receptor 3,NTR3
2	B, C (B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	D (A)	3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one	non-polymer		155.2	1	Chemie (Q9Z)
4	E (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
5	F (A)	water	water		18.0	57	Chemie (HOH)

Sequence modifications

A: 45 - 723 (UniProt: Q99523)

PDB	External Database	Details
Met 617	Val 650	conflict
Gly 724	-	expression tag
Ser 725	-	expression tag
Ala 726	-	expression tag
Met 727	-	expression tag
Ile 728	-	expression tag
Glu 729	-	expression tag
Gly 730	-	expression tag
Arg 731	-	expression tag
Gly 732	-	expression tag
Val 733	-	expression tag
Gly 734	-	expression tag
His 735	-	expression tag
His 736	-	expression tag
His 737	-	expression tag
His 738	-	expression tag
His 739	-	expression tag
His 740	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	77790.9
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	2
	Total formula weight	305.4
All*	Total formula weight	78945.1

*Water molecules are not included.