5TKV

X-RAY CRYSTAL STRUCTURE OF THE "CLOSED" CONFORMATION OF CTP-INHIBITED E. COLI CYTIDINE TRIPHOSPHATE (CTP) SYNTHETASE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	CTP synthase	polymer	565	62586.3	2	UniProt (P0A7E5) Pfam (PF06418) Pfam (PF00117) Pfam (PF07722) In PDB	Escherichia coli (strain K12)	Cytidine 5'-triphosphate synthase,Cytidine triphosphate synthetase,CTPS,UTP--ammonia ligase
2	A, B	GLUTAMINE	non-polymer		146.1	2	Chemie (GLN)
3	A, B	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
4	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
5	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	B	CYTIDINE-5'-TRIPHOSPHATE	non-polymer		483.2	2	Chemie (CTP)
7	B	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	2	Chemie (MRD)
8		water	water		18.0	370	Chemie (HOH)

Sequence modifications

A, B: 1 - 545 (UniProt: P0A7E5)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 268	Cys 268	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	125172.6
Non-Polymers*	Number of molecules	18
	Total formula weight	2548.4
All*	Total formula weight	127721.0

*Water molecules are not included.