Magnesium in PDB 4nur: Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9

The structure of Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9, PDB code: 4nur was solved by L.F.Sun, Y.T.Su, Y.H.Zhao, Z.X.Cai, Y.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.75 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.780, 76.656, 103.178, 90.00, 95.03, 90.00
R / Rfree (%)	15.2 / 18.4

The structure of Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 (pdb code 4nur). 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 Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9, PDB code: 4nur:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9


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 Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:20.9 occ:1.00 O A:HOH870 2.4 15.9 1.0 O B:HOH835 2.4 15.8 1.0 O A:HOH891 2.4 18.9 1.0 O B:HOH841 2.5 20.6 1.0 O B:HOH962 2.5 26.8 1.0 C A:PRO674 3.1 33.1 1.0 CA A:PRO674 3.7 21.2 1.0 O B:HOH880 4.0 21.4 1.0 O A:HOH947 4.0 23.3 1.0 O A:THR673 4.1 16.8 1.0 OE1 B:GLU407 4.2 18.1 1.0 O A:PRO674 4.2 23.2 1.0 O A:ASN670 4.2 14.7 1.0 OE2 B:GLU407 4.2 21.7 1.0 O B:GLY402 4.3 13.8 1.0 O A:HOH837 4.3 14.8 1.0 O B:HOH1303 4.4 43.4 1.0 CD B:GLU407 4.6 25.6 1.0 CB A:PRO674 4.6 25.6 1.0 O B:HOH816 4.7 11.8 1.0 CB A:ASN670 4.8 14.8 1.0 N A:PRO674 4.8 21.2 1.0 O B:HOH875 4.9 18.3 1.0 C A:THR673 4.9 14.0 1.0 C A:ASN670 5.0 12.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9


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 Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:20.7 occ:1.00 O A:HOH831 2.4 17.4 1.0 O B:HOH810 2.4 12.6 1.0 O B:HOH803 2.4 16.4 1.0 O A:HOH827 2.4 12.6 1.0 O A:HOH909 2.5 22.3 1.0 O B:HOH1388 2.7 67.4 1.0 C B:PRO674 3.1 30.0 1.0 CA B:PRO674 3.6 18.0 1.0 O B:THR673 4.0 18.2 1.0 O A:HOH873 4.1 21.9 1.0 O B:PRO674 4.2 19.7 1.0 OE1 A:GLU407 4.2 14.5 1.0 O A:HOH1173 4.2 38.8 1.0 OE2 A:GLU407 4.3 16.8 1.0 O B:ASN670 4.3 15.1 1.0 O A:GLY402 4.3 14.1 1.0 O B:HOH801 4.4 35.5 1.0 O B:HOH818 4.4 15.1 1.0 CD A:GLU407 4.6 21.4 1.0 CB B:PRO674 4.7 26.4 1.0 O A:HOH1491 4.7 46.9 1.0 N B:PRO674 4.7 17.0 1.0 O A:HOH818 4.8 12.4 1.0 CB B:ASN670 4.8 17.8 1.0 O A:HOH968 4.8 19.3 1.0 C B:THR673 4.8 15.3 1.0

Y.K.Wu, L.F.Sun. Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 To Be Published.