9R18

Structure of Sortilin ECD in complex with TNFa-targeting SORTAC

This is a non-PDB format compatible entry.

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	762	84991.2	1	UniProt (Q99523)	Homo sapiens (human)	100 kDa NT receptor,Glycoprotein 95,Gp95,Neurotensin receptor 3,NT3,NTR3
2	B, C (C, B)	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)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
4	E (A)	(2~{S})-2-[[6-[3-[8-[2-[(2~{R})-4-[5-[1-[(2-cyanopyridin-3-yl)methyl]-2,2-dimethyl-3-oxidanylidene-pyrrolo[2,3-b]pyridin-6-yl]pyrimidin-2-yl]-2-methyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]octylcarbamoyl]phenoxy]pyridin-3-yl]carbonylamino]-5,5-dimethyl-hexanoic acid	non-polymer		1022.2	1	Chemie (A1JCL)
5	F (A)	water	water		18.0	100	Chemie (HOH)

Sequence modifications

A: 1 - 756 (UniProt: Q99523)

PDB	External Database	Details
Met 650	Val 650	conflict
His 757	-	expression tag
His 758	-	expression tag
His 759	-	expression tag
His 760	-	expression tag
His 761	-	expression tag
His 762	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	84991.2
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1243.4
All*	Total formula weight	87083.4

*Water molecules are not included.