4U0M

Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D193N in complex with ATP, GTP and 5MTHFGLU2

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)	Cyclic AMP-GMP synthase	polymer	427	48824.4	2	UniProt (Q9KVG7) Pfam (PF21654) Pfam (PF21713)	Vibrio cholerae El Tor N16961	c-AMP-GMP synthase,Dinucleotide cyclase DncV
2	C, G (A, B)	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	2	Chemie (GTP) PubChem (177679032) PubChem (135400627) PubChem (135487750) PubChem (136088935) PubChem (136803486) PubChem (135398633) PubChem (135544356) PubChem (135547949) PubChem (135600366) PubChem (135749822) PubChem (136005188) PubChem (136073923) PubChem (136240914) PubChem (136664747) PubChem (136772743) PubChem (136772744) PubChem (136803487) PubChem (137286749) PubChem (164715984) PubChem (171699466)
3	D, H (A, B)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
4	E, I (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
5	F (A)	N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid	non-polymer		588.6	1	Chemie (TLL)
6	J, K (A, B)	water	water		18.0	377	Chemie (HOH)

Sequence modifications

A, B: 1 - 419 (UniProt: Q9KVG7)

PDB	External Database	Details
Asn 193	Asp 193	engineered mutation
Leu 420	-	expression tag
Glu 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97648.8
Non-Polymers*	Number of molecules	7
	Total formula weight	2697.9
All*	Total formula weight	100346.7

*Water molecules are not included.