4CYG

The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	PANTETHEINASE	polymer	506	56325.2	2	UniProt (O95497) Pfam (PF00795) Pfam (PF19018)	HOMO SAPIENS (HUMAN)	PANTETHEINE HYDROLASE, TIFF66, VASCULAR NON-INFLAMMATORY MOLECULE 1, VANIN-1
2	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	D, J (A, B)	(2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide	non-polymer		295.4	2	Chemie (RRV)
4	E, F, G, K, L... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
5	H, I (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6	N, O (A, B)	water	water		18.0	307	Chemie (HOH)

Sequence modifications

A, B: 22 - 513 (UniProt: O95497)

PDB	External Database	Details
Ala 8	-	expression tag
Ser 9	-	expression tag
Ile 10	-	expression tag
Ser 11	-	expression tag
Ala 12	-	expression tag
Arg 13	-	expression tag
Asp 14	-	expression tag
Tyr 15	-	expression tag
Lys 16	-	expression tag
Asp 17	-	expression tag
Asp 18	-	expression tag
Asp 19	-	expression tag
Asp 20	-	expression tag
Lys 21	-	expression tag
Ile 26	Thr 26	variant

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	112650.4
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	10
	Total formula weight	2130.2
All*	Total formula weight	115205.1

*Water molecules are not included.