Calcium in PDB 3qe9: Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I)

The structure of Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I), PDB code: 3qe9 was solved by J.Orans, E.A.Mcsweeney, R.R.Iyer, M.A.Hast, H.W.Hellinga, P.Modrich, L.S.Beese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.51
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.504, 95.467, 99.777, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 23.8

The structure of Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I) also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I) (pdb code 3qe9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I), PDB code: 3qe9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I) within 5.0Å range: probe atom residue distance (Å) B Occ Y:Ca354 b:78.5 occ:1.00 O Y:HOH427 2.3 46.5 1.0 O D:HOH35 2.4 44.9 1.0 O Y:HOH371 2.4 55.9 1.0 OD1 Y:ASP152 2.5 48.1 1.0 O Y:HOH363 2.6 51.1 1.0 OD2 Y:ASP152 2.8 47.5 1.0 CG Y:ASP152 2.9 44.9 1.0 O Y:HOH428 3.4 45.0 1.0 CB Y:ASP152 4.4 42.8 1.0 OD2 Y:ASP171 4.4 55.7 1.0 OE2 Y:GLU150 4.6 51.9 1.0 OD2 Y:ASP30 4.6 42.4 1.0 O Y:HOH454 4.6 75.2 1.0 N Y:ASP152 4.8 41.4 1.0 OD2 Y:ASP78 4.8 47.2 1.0 OD1 Y:ASP78 4.9 45.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Exonuclease 1 EXO1 (D173A) in Complex with Dna (Complex I) within 5.0Å range: probe atom residue distance (Å) B Occ Z:Ca354 b:73.0 occ:1.00 O Z:HOH484 2.2 43.6 1.0 O Z:HOH366 2.3 42.2 1.0 O Z:HOH378 2.3 53.0 1.0 O Z:HOH433 2.4 53.5 1.0 OD2 Z:ASP152 2.5 47.3 1.0 O Z:HOH364 2.5 48.7 1.0 CG Z:ASP152 3.2 43.2 1.0 OD1 Z:ASP152 3.3 49.0 1.0 O Z:HOH510 3.7 57.7 1.0 O B:HOH300 4.1 62.7 1.0 OD2 Z:ASP171 4.5 56.9 1.0 OD2 Z:ASP30 4.6 42.0 1.0 CB Z:ASP152 4.7 39.8 1.0 OD1 Z:ASP78 4.9 44.6 1.0

J.Orans, E.A.Mcsweeney, R.R.Iyer, M.A.Hast, H.W.Hellinga, P.Modrich, L.S.Beese. Structures of Human Exonuclease 1 Dna Complexes Suggest A Unified Mechanism For Nuclease Family. Cell(Cambridge,Mass.) V. 145 212 2011.
ISSN: ISSN 0092-8674
PubMed: 21496642
DOI: 10.1016/J.CELL.2011.03.005