Magnesium in PDB 4dyk: Crystal Structure of An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn

The structure of Crystal Structure of An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn, PDB code: 4dyk was solved by M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, S.Sojitra, S.Chamala, A.Kar, J.Lafleur, G.Villigas, B.Evans, J.Hammonds, A.Gizzi, W.D.Zencheck, B.Hillerich, J.Love, R.D.Seidel, J.B.Bonanno, F.M.Raushel, S.C.Almo, New York Structural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.75 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.906, 98.776, 119.820, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 22.4

The structure of Crystal Structure of An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn (pdb code 4dyk). 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 An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn, PDB code: 4dyk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn


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 An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:23.9 occ:1.00 OE1 A:GLU282 2.0 31.8 1.0 OD1 A:ASN314 2.0 26.7 1.0 OD1 A:ASP316 2.1 25.1 1.0 O A:HOH746 2.1 25.8 1.0 O A:HOH748 2.1 28.8 1.0 O A:HOH619 2.1 27.0 1.0 CG A:ASN314 3.0 28.2 1.0 CD A:GLU282 3.0 33.7 1.0 CG A:ASP316 3.1 21.0 1.0 ND2 A:ASN314 3.4 28.4 1.0 OE2 A:GLU282 3.5 27.5 1.0 OD2 A:ASP316 3.6 31.7 1.0 OE2 A:GLU322 3.6 44.8 1.0 O A:ASP316 4.0 24.8 1.0 N A:ASP316 4.2 26.6 1.0 O A:HOH611 4.2 28.2 1.0 O A:ASP318 4.3 31.7 1.0 CG A:GLU282 4.3 28.2 1.0 CB A:ASN314 4.4 28.4 1.0 C A:ASP316 4.4 22.8 1.0 CB A:ASP316 4.4 24.8 1.0 CD A:GLU322 4.4 32.3 1.0 CB A:ASP318 4.5 20.6 1.0 O A:ASN314 4.5 32.4 1.0 CA A:ASP316 4.5 21.3 1.0 CB A:GLU282 4.6 28.3 1.0 C A:ASN314 4.6 28.1 1.0 N A:ASP318 4.6 30.2 1.0 CG A:GLU322 4.7 48.2 1.0 N A:ASN315 4.9 27.8 1.0 N A:GLU322 5.0 26.3 1.0 CA A:ASN314 5.0 34.4 1.0 CA A:ASP318 5.0 24.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn


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 An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:27.4 occ:1.00 OD1 B:ASP316 2.0 26.4 1.0 OD1 B:ASN314 2.0 28.8 1.0 O A:HOH616 2.1 28.8 1.0 O B:HOH751 2.1 27.5 1.0 O B:HOH743 2.1 32.1 1.0 OE1 B:GLU282 2.1 32.0 1.0 CG B:ASP316 3.0 34.5 1.0 CG B:ASN314 3.1 30.7 1.0 CD B:GLU282 3.2 32.3 1.0 OD2 B:ASP316 3.5 36.8 1.0 ND2 B:ASN314 3.6 27.1 1.0 OE2 B:GLU282 3.7 30.8 1.0 O B:ASP316 4.0 27.9 1.0 OE2 B:GLU322 4.0 31.3 1.0 NH1 A:ARG324 4.1 55.7 1.0 N B:ASP316 4.1 26.9 1.0 O B:HOH608 4.1 29.3 1.0 CB B:ASP316 4.3 24.2 1.0 O B:ASN314 4.3 32.9 1.0 C B:ASP316 4.3 31.2 1.0 O B:ASP318 4.4 26.4 1.0 CA B:ASP316 4.4 31.2 1.0 CB B:ASN314 4.4 22.6 1.0 CB B:ASP318 4.4 25.9 1.0 C B:ASN314 4.5 31.6 1.0 CG B:GLU282 4.5 26.4 1.0 N B:ASP318 4.6 26.9 1.0 CB B:GLU282 4.7 21.9 1.0 N B:ASN315 4.8 30.6 1.0 CA B:ASN314 5.0 30.2 1.0

M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, S.Sojitra, S.Chamala, A.Kar, J.Lafleur, G.Villigas, B.Evans, J.Hammonds, A.Gizzi, W.D.Zencheck, B.Hillerich, J.Love, R.D.Seidel, J.B.Bonanno, F.M.Raushel, S.C.Almo, New York Structural Genomics Research Consortium (Nysgrc). Crystal Structure of An Adenosine Deaminase From Pseudomonas Aeruginosa PAO1 (Target Nysgrc-200449) with Bound Zn To Be Published.