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Magnesium in PDB 7rci: Crystal Structure of A PMS2 Vus with Substrate

Protein crystallography data

The structure of Crystal Structure of A PMS2 Vus with Substrate, PDB code: 7rci 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) 50.47 / 2.12
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.059, 75.551, 135.663, 90, 90, 90
R / Rfree (%) 22.3 / 24.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A PMS2 Vus with Substrate (pdb code 7rci). 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 A PMS2 Vus with Substrate, PDB code: 7rci:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7rci

Go back to Magnesium Binding Sites List in 7rci
Magnesium binding site 1 out of 2 in the Crystal Structure of A PMS2 Vus 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 A PMS2 Vus with Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:44.7
occ:1.00
O1G A:ATP401 2.1 63.6 1.0
O A:HOH510 2.1 44.4 1.0
O A:HOH551 2.1 42.7 1.0
O2B A:ATP401 2.2 50.5 1.0
O2A A:ATP401 2.3 56.0 1.0
OD1 A:ASN45 2.5 38.7 1.0
PG A:ATP401 3.1 64.2 1.0
PB A:ATP401 3.2 52.3 1.0
PA A:ATP401 3.4 56.1 1.0
O2G A:ATP401 3.5 68.9 1.0
O3B A:ATP401 3.5 57.2 1.0
O3A A:ATP401 3.5 53.0 1.0
CG A:ASN45 3.6 37.2 1.0
O A:HOH504 3.9 49.0 1.0
O A:HOH597 3.9 47.2 1.0
O A:HOH564 4.0 42.9 1.0
ND2 A:ASN45 4.1 36.9 1.0
OE1 A:GLU41 4.2 56.4 1.0
O5' A:ATP401 4.2 51.6 1.0
O3G A:ATP401 4.4 63.6 1.0
O1B A:ATP401 4.5 50.4 1.0
O A:GLU41 4.6 48.6 1.0
O1A A:ATP401 4.7 57.9 1.0
CB A:ASN45 4.9 35.0 1.0
N A:ASN45 4.9 32.4 1.0
CA A:ASN45 5.0 33.4 1.0

Magnesium binding site 2 out of 2 in 7rci

Go back to Magnesium Binding Sites List in 7rci
Magnesium binding site 2 out of 2 in the Crystal Structure of A PMS2 Vus 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 A PMS2 Vus with Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:57.0
occ:1.00
O2B B:ATP401 2.1 71.7 1.0
O B:HOH518 2.1 53.5 1.0
O1G B:ATP401 2.2 81.4 1.0
O B:HOH558 2.4 58.9 1.0
O2A B:ATP401 2.5 66.4 1.0
OD1 B:ASN45 2.7 38.2 1.0
O3B B:ATP401 2.7 75.6 1.0
PG B:ATP401 2.7 79.7 1.0
PB B:ATP401 2.7 69.4 1.0
O3G B:ATP401 3.0 72.1 1.0
O3A B:ATP401 3.3 67.0 1.0
PA B:ATP401 3.4 65.8 1.0
CG B:ASN45 3.7 36.0 1.0
O B:HOH543 4.0 53.8 1.0
OE1 B:GLU41 4.0 58.9 1.0
ND2 B:ASN45 4.1 35.4 1.0
O1B B:ATP401 4.2 65.6 1.0
O2G B:ATP401 4.2 83.1 1.0
O5' B:ATP401 4.3 63.4 1.0
O1A B:ATP401 4.7 69.8 1.0
O B:GLU41 4.9 50.1 1.0

Reference:

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
Page generated: Thu Aug 14 14:58:25 2025

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