Zinc in PDB 4fmo: Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer Bound to A Fragment of EXO1

The structure of Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer Bound to A Fragment of EXO1, PDB code: 4fmo 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)	48.41 / 3.04
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	193.700, 66.140, 74.470, 90.00, 91.28, 90.00
R / Rfree (%)	18 / 19.6

The structure of Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer Bound to A Fragment of EXO1 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Zinc atom in the Structure of the C-Terminal Domain of the Saccharomyces Cerevisiae Mutl Alpha (MLH1/PMS1) Heterodimer Bound to A Fragment of EXO1 (pdb code 4fmo). 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 Bound to A Fragment of EXO1, PDB code: 4fmo:
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 Bound to A Fragment of EXO1


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 Bound to A Fragment of EXO1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn901 b:74.3 occ:1.00 OE1 B:GLU707 1.9 73.2 1.0 NE2 B:HIS703 2.0 69.0 1.0 SG A:CYS769 2.2 87.8 1.0 SG B:CYS817 2.4 72.0 1.0 CD B:GLU707 3.0 72.1 1.0 CB A:CYS769 3.0 86.5 1.0 CE1 B:HIS703 3.0 67.9 1.0 CD2 B:HIS703 3.1 68.5 1.0 CB B:CYS817 3.2 68.6 1.0 ZN B:ZN902 3.4 75.4 1.0 OE2 B:GLU707 3.5 61.0 1.0 CA B:CYS817 3.6 67.0 1.0 CE1 B:HIS850 4.1 83.9 1.0 ND1 B:HIS703 4.2 67.1 1.0 CG B:HIS703 4.2 65.0 1.0 ND1 B:HIS850 4.2 84.7 1.0 CG B:GLU707 4.2 58.8 1.0 O B:CYS817 4.4 69.5 1.0 CA A:CYS769 4.5 87.0 1.0 C B:CYS817 4.5 71.5 1.0 CB B:GLU707 4.7 57.6 1.0 N B:CYS817 4.8 67.5 1.0 N A:CYS769 4.8 84.2 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 Bound to A Fragment of EXO1


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 Bound to A Fragment of EXO1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:75.4 occ:1.00 OE2 B:GLU707 1.9 61.0 1.0 ND1 B:HIS850 1.9 84.7 1.0 SG B:CYS848 2.3 78.0 1.0 SG A:CYS769 2.3 87.8 1.0 CE1 B:HIS850 2.8 83.9 1.0 CD B:GLU707 2.9 72.1 1.0 CG B:HIS850 3.0 84.9 1.0 CB A:CYS769 3.1 86.5 1.0 OE1 B:GLU707 3.2 73.2 1.0 CB B:CYS848 3.4 73.3 1.0 ZN B:ZN901 3.4 74.3 1.0 CB B:HIS850 3.5 82.7 1.0 N B:HIS850 3.8 82.7 1.0 CA A:CYS769 4.0 87.0 1.0 NE2 B:HIS850 4.0 86.2 1.0 CD2 B:HIS850 4.1 87.8 1.0 CG B:GLU707 4.2 58.8 1.0 CA B:HIS850 4.3 83.9 1.0 CD B:PRO849 4.3 78.8 1.0 N B:PRO849 4.4 78.9 1.0 CG B:PRO849 4.5 83.9 1.0 CA B:CYS848 4.6 76.1 1.0 C B:CYS848 4.6 82.0 1.0 CG B:ARG852 4.7 72.3 1.0 NE2 B:HIS703 4.9 69.0 1.0 N A:CYS769 4.9 84.2 1.0 C B:PRO849 4.9 88.3 1.0 CB B:GLU707 5.0 57.6 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 Mutl Alpha 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