Zinc in PDB 4e4w: Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer

The structure of Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer, PDB code: 4e4w was solved by E.Gueneau, P.Legrand, J.B.Charbonnier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.79 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	187.210, 66.140, 74.010, 90.00, 90.75, 90.00
R / Rfree (%)	17 / 21

The binding sites of Zinc atom in the Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer (pdb code 4e4w). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer, PDB code: 4e4w:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn901 b:58.7 occ:1.00 OE1 B:GLU707 1.9 60.3 1.0 NE2 B:HIS703 2.0 50.5 1.0 SG A:CYS769 2.3 75.3 1.0 SG B:CYS817 2.4 56.9 1.0 CD B:GLU707 3.0 56.8 1.0 CE1 B:HIS703 3.0 49.5 1.0 CD2 B:HIS703 3.0 50.0 1.0 CB A:CYS769 3.1 73.8 1.0 CB B:CYS817 3.2 53.7 1.0 ZN B:ZN902 3.4 57.9 1.0 OE2 B:GLU707 3.5 52.8 1.0 CA B:CYS817 3.6 52.8 1.0 O A:HOH956 3.7 51.8 1.0 O B:HOH1046 3.7 58.1 1.0 CE1 B:HIS850 4.1 58.8 1.0 ND1 B:HIS703 4.2 49.5 1.0 CG B:HIS703 4.2 47.5 1.0 CG B:GLU707 4.3 42.9 1.0 ND1 B:HIS850 4.3 59.7 1.0 O B:CYS817 4.3 56.0 1.0 C B:CYS817 4.5 57.0 1.0 CA A:CYS769 4.5 74.0 1.0 N B:CYS817 4.8 53.9 1.0 CB B:GLU707 4.8 42.8 1.0 N A:CYS769 4.8 72.2 1.0 O A:HOH1023 4.9 45.9 1.0

Zinc binding site 2 out of 2 in the Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:57.9 occ:1.00 OE2 B:GLU707 1.9 52.8 1.0 ND1 B:HIS850 2.0 59.7 1.0 SG A:CYS769 2.2 75.3 1.0 SG B:CYS848 2.4 55.8 1.0 CE1 B:HIS850 2.9 58.8 1.0 CD B:GLU707 2.9 56.8 1.0 CB A:CYS769 3.0 73.8 1.0 CG B:HIS850 3.1 59.7 1.0 OE1 B:GLU707 3.2 60.3 1.0 CB B:CYS848 3.4 51.5 1.0 ZN B:ZN901 3.4 58.7 1.0 CB B:HIS850 3.5 58.3 1.0 N B:HIS850 3.9 60.4 1.0 CA A:CYS769 3.9 74.0 1.0 NE2 B:HIS850 4.0 60.4 1.0 CD2 B:HIS850 4.2 61.6 1.0 CG B:GLU707 4.2 42.9 1.0 CA B:HIS850 4.3 59.9 1.0 CD B:PRO849 4.4 57.3 1.0 N B:PRO849 4.5 57.9 1.0 CA B:CYS848 4.6 53.7 1.0 CG B:PRO849 4.6 62.7 1.0 C B:CYS848 4.6 61.0 1.0 CG B:ARG852 4.7 60.5 1.0 NE2 B:HIS703 4.8 50.5 1.0 N A:CYS769 4.8 72.2 1.0 C B:PRO849 4.9 66.2 1.0 CB B:GLU707 5.0 42.8 1.0

E.Gueneau, C.Dherin, P.Legrand, C.Tellier-Lebegue, B.Gilquin, P.Bonnesoeur, F.Londino, C.Quemener, M.H.Le Du, J.A.Marquez, M.Moutiez, M.Gondry, S.Boiteux, J.B.Charbonnier. Structure of the Mutlalpha C-Terminal Domain Reveals How MLH1 Contributes to PMS1 Endonuclease Site. Nat.Struct.Mol.Biol. V. 20 461 2013.
ISSN: ISSN 1545-9993
PubMed: 23435383
DOI: 10.1038/NSMB.2511