7SLX

Vanin-1 complexed with Compound 11

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Pantetheinase	polymer	482	53818.0	1	UniProt (O95497) Pfam (PF00795) Pfam (PF19018) In PDB	Homo sapiens (Human)	Pantetheine hydrolase,Tiff66,Vascular non-inflammatory molecule 1,Vanin-1
2	B	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
3	D	beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-6)-[beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	1	In PDB GlyTouCan (G67849DJ)
4	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
5	A	(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile	non-polymer		349.4	1	Chemie (9SS)
6	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7		water	water		18.0	218	Chemie (HOH)

Sequence modifications

A: 1 - 462 (UniProt: O95497)

PDB	External Database	Details
Gly -19	-	expression tag
Ser -18	-	expression tag
Gly -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Lys 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	53818.0
Branched	Number of molecules	2
	Total formula weight	1659.5
Non-Polymers*	Number of molecules	4
	Total formula weight	814.8
All*	Total formula weight	56292.3

*Water molecules are not included.