6IDE

Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design

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)	Transcriptional regulator LuxR family	polymer	256	28868.1	2	UniProt (A0A0H6WEL7)	Vibrio cholerae
2	C (C)	DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3')	polymer	18	5526.6	1		Vibrio cholerae
3	D (D)	DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3')	polymer	18	5508.6	1		Vibrio cholerae
4	E, F (A, B)	3,5-dimethylpyrazin-2-ol	non-polymer		124.1	2	Chemie (A1U)
5	G (A)	water	water		18.0	6	Chemie (HOH)

Sequence modifications

A, B: 2 - 246 (UniProt: A0A0H6WEL7)

PDB	External Database	Details
Met 0	-	initiating methionine
Lys 1	-	expression tag
Leu 247	-	expression tag
Leu 248	-	expression tag
Glu 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag
His 252	-	expression tag
His 253	-	expression tag
His 254	-	expression tag
His 255	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	68771.4
Non-Polymers*	Number of molecules	2
	Total formula weight	248.3
All*	Total formula weight	69019.7

*Water molecules are not included.