Sodium in PDB 3mao: Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1)

The structure of Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1), PDB code: 3mao was solved by A.Chaikuad, N.Shafqat, W.W.Yue, P.Savitsky, T.Krojer, E.Ugochukwu, J.R.C.Muniz, A.C.W.Pike, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, U.Oppermann, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.69 / 1.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.054, 47.473, 57.809, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 17

The structure of Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1) also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Sodium atom in the Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1) (pdb code 3mao). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1), PDB code: 3mao:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2 b:10.1 occ:1.00 O A:ARG63 2.2 13.4 1.0 O A:GLU60 2.3 11.8 1.0 O A:HOH8 2.4 15.3 1.0 O A:HOH187 2.4 21.0 1.0 O A:ALA66 2.4 10.3 1.0 O A:HOH159 2.4 10.1 1.0 C A:GLU60 3.4 12.7 1.0 C A:ARG63 3.4 13.7 1.0 C A:ALA66 3.5 9.0 1.0 N A:ALA66 3.7 9.5 1.0 N A:GLU60 3.8 10.9 1.0 CA A:GLU60 3.9 13.0 1.0 CB A:GLU60 3.9 13.4 1.0 CA A:ALA66 4.0 8.8 1.0 CB A:ALA66 4.1 12.4 1.0 CA A:SER64 4.2 12.6 1.0 N A:SER64 4.2 12.6 1.0 C A:SER64 4.3 13.1 1.0 N A:ARG63 4.3 16.9 1.0 O A:HOH164 4.3 14.0 1.0 N A:GLU65 4.3 9.8 1.0 CA A:ARG63 4.4 16.4 1.0 N A:HIS61 4.4 12.5 1.0 CG A:GLU60 4.6 19.2 1.0 CA A:HIS61 4.6 13.8 1.0 N A:LEU67 4.7 7.5 1.0 C A:HIS61 4.8 21.8 1.0 C A:GLU65 4.8 10.4 1.0 O A:SER64 4.8 12.5 1.0 CB A:ARG63 4.8 20.6 1.0 C A:PRO59 5.0 10.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na3 b:22.6 occ:1.00 O A:THR49 2.2 9.8 1.0 O A:HOH244 2.4 34.3 1.0 OE1 A:GLU48 2.4 21.2 1.0 O A:HOH225 2.5 31.0 1.0 CD A:GLU48 3.4 17.5 1.0 O A:HOH145 3.4 40.5 1.0 C A:THR49 3.5 8.7 1.0 CG A:GLU48 3.9 12.0 1.0 O A:ILE50 4.0 11.5 1.0 O A:HOH120 4.1 20.4 1.0 CB A:GLU48 4.1 10.8 1.0 N A:THR49 4.2 9.0 1.0 C A:ILE50 4.3 10.6 1.0 N A:ILE50 4.4 8.0 1.0 CA A:ILE50 4.4 9.3 1.0 CA A:THR49 4.4 8.0 1.0 OE2 A:GLU48 4.5 19.0 1.0 OG1 A:THR49 4.6 9.8 1.0 O A:HOH173 4.7 16.5 1.0 O A:HOH203 4.7 29.8 1.0 C A:GLU48 4.7 8.9 1.0

A.Chaikuad, N.Shafqat, W.W.Yue, P.Savitsky, T.Krojer, E.Ugochukwu, J.R.C.Muniz, A.C.W.Pike, F.Von Delft, C.H Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, U.Oppermann, Structural Genomics Consortium (Sgc). Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1) To Be Published.