7B1K

Crystal structure of phosphatidyl serine synthase (PSS) in the closed conformation with bound citrate.

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)	CDP-diacylglycerol--serine O-phosphatidyltransferase	polymer	225	24713.4	2	UniProt (Q58609) Pfam (PF01066)	Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440)	Phosphatidylserine synthase
2	C, N (A, B)	5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine	non-polymer		1006.1	2	Chemie (58A)
3	D, O (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	E, P (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	F, G, Q, R (A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	H, S, T (A, B)	CITRATE ANION	non-polymer		189.1	3	Chemie (FLC)
7	I, W (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
8	J, K, L, M, U... (A, B)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	6	Chemie (OLC)
9	X, Y (A, B)	water	water		18.0	29	Chemie (HOH)

Sequence modifications

A, B: 1 - 201 (UniProt: Q58609)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Glu -7	-	expression tag
Val -6	-	expression tag
Leu -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Pro -1	-	expression tag
His 0	-	expression tag
Leu 202	-	expression tag
Glu 203	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	49426.8
Non-Polymers*	Number of molecules	21
	Total formula weight	5035.4
All*	Total formula weight	54462.2

*Water molecules are not included.