1JJ6: Testing The Water-Mediated Hin Recombinase Dna Recognition By Systematic Mutations

The Hin recombinase specifically recognizes its DNA-binding site by means of both major and minor groove interactions. A previous X-ray structure, together with new structures of the Hin DNA-binding domain bound to a recombination half-site that were solved as part of the present study, have revealed that two ordered water molecules are present within the major groove interface. In this report, we test the importance of these waters directly by X-ray crystal structure analysis of complexes with four mutant DNA sequences. These structures, combined with their Hin-binding properties, provide strong support for the critical importance of one of the intermediate waters. A lesser but demonstrable role is ascribed to the second water molecule. The mutant structures also illustrate the prominent roles of thymine methyls both in stabilizing intermediate waters and in interfering with water or amino acid side chain interactions with DNA.
PDB ID: 1JJ6Download
MMDB ID: 104350
PDB Deposition Date: 2001/7/3
Updated in MMDB: 2012/11
Experimental Method:
x-ray diffraction
Resolution: 2.3  Å
Source Organism:
Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Similar Structures:
Biological Unit for 1JJ6: trimeric; determined by author
Molecular Components in 1JJ6
Label Count Molecule
Protein (1 molecule)
DNA-invertase HIN(Gene symbol: hin)
Molecule annotation
Nucleotides(2 molecules)
5'-d(*tp*gp*tp*(5it) P*tp*tp*tp*gp*ap*tp*ap*ap*gp*a)-3'
Molecule annotation
5'-d(*ap*tp*cp*tp*tp*ap*tp*cp*ap*ap*ap*ap*ap*c)- 3'
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB