Magnesium in PDB 7rck: Crystal Structure of PMS2 with Substrate

The structure of Crystal Structure of PMS2 with Substrate, PDB code: 7rck was solved by B.M.D'arcy, A.Prakash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.71 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.684, 75.385, 135.313, 90, 90, 90
R / Rfree (%)	21.3 / 23.4

The binding sites of Magnesium atom in the Crystal Structure of PMS2 with Substrate (pdb code 7rck). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of PMS2 with Substrate, PDB code: 7rck:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of PMS2 with Substrate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of PMS2 with Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:40.4 occ:1.00 O1G A:ATP401 2.1 70.4 1.0 OD1 A:ASN45 2.1 31.4 1.0 O A:HOH575 2.1 30.2 1.0 O A:HOH511 2.2 40.1 1.0 O2B A:ATP401 2.2 46.3 1.0 O2A A:ATP401 2.2 60.7 1.0 CG A:ASN45 3.1 30.4 1.0 PG A:ATP401 3.2 70.9 1.0 PB A:ATP401 3.2 58.2 1.0 PA A:ATP401 3.4 55.9 1.0 ND2 A:ASN45 3.5 29.7 1.0 O3A A:ATP401 3.5 58.7 1.0 O2G A:ATP401 3.6 73.2 1.0 O3B A:ATP401 3.6 65.8 1.0 O A:HOH594 3.9 41.7 1.0 OE1 A:GLU41 4.2 37.8 1.0 O5' A:ATP401 4.2 52.8 1.0 CB A:ASN45 4.5 29.5 1.0 O A:GLU41 4.5 35.0 1.0 O3G A:ATP401 4.5 72.6 1.0 O A:HOH533 4.5 66.7 1.0 O1B A:ATP401 4.5 61.0 1.0 O1A A:ATP401 4.6 61.5 1.0 CA A:ASN45 4.7 30.6 1.0 OD2 A:ASP48 4.7 37.4 1.0 CB A:ALA110 4.7 41.6 1.0 N A:ASN45 4.8 31.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of PMS2 with Substrate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of PMS2 with Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:52.4 occ:1.00 O1G B:ATP401 1.9 101.5 1.0 OD1 B:ASN45 1.9 37.5 1.0 O2A B:ATP401 2.0 78.9 1.0 O2B B:ATP401 2.2 77.2 1.0 O B:HOH503 2.2 49.6 1.0 O B:HOH515 2.3 44.6 1.0 CG B:ASN45 2.8 36.3 1.0 PB B:ATP401 3.1 77.3 1.0 PA B:ATP401 3.1 77.2 1.0 PG B:ATP401 3.1 96.9 1.0 ND2 B:ASN45 3.1 36.5 1.0 O3A B:ATP401 3.3 76.7 1.0 O3B B:ATP401 3.4 88.4 1.0 O5' B:ATP401 3.9 75.7 1.0 O B:HOH562 4.0 46.0 1.0 O2G B:ATP401 4.1 96.9 1.0 O3G B:ATP401 4.1 93.5 1.0 CB B:ASN45 4.3 35.5 1.0 OE1 B:GLU41 4.3 41.5 1.0 O1A B:ATP401 4.3 75.6 1.0 O B:GLU41 4.4 38.4 1.0 O1B B:ATP401 4.4 80.7 1.0 CB B:ALA110 4.6 38.8 1.0 CA B:ASN45 4.7 35.8 1.0 N B:ASN45 4.8 35.3 1.0 OD2 B:ASP48 4.9 43.4 1.0

B.M.D'arcy, J.Arrington, J.Weisman, S.B.Mcclellan, Z.Yang, C.Deivanayagam, J.Blount, A.Prakash. PMS2 Variant Results in Loss of Atpase Activity Without Compromising Mismatch Repair. Mol Genet Genomic Med V. 10 E1908 2022.
ISSN: ISSN 2324-9269
PubMed: 35189042
DOI: 10.1002/MGG3.1908