Iron 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:

Sodium

(Na)

2 atoms

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MSRB1), PDB code: 3mao:

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe 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:Fe1 b:7.3 occ:1.00 SG A:CYS26 2.3 9.6 1.0 SG A:CYS74 2.3 10.2 1.0 SG A:CYS71 2.3 9.0 1.0 SG A:CYS23 2.4 8.8 1.0 CB A:CYS71 3.1 9.0 1.0 CB A:CYS23 3.1 8.4 1.0 CB A:CYS74 3.3 12.2 1.0 CB A:CYS26 3.3 8.4 1.0 N A:CYS74 3.7 12.4 1.0 N A:CYS26 3.8 8.6 1.0 CA A:CYS74 4.1 11.5 1.0 CA A:CYS26 4.1 9.9 1.0 CB A:LYS73 4.6 13.3 0.5 CA A:CYS71 4.6 8.0 1.0 CA A:CYS23 4.6 7.1 1.0 CB A:LYS25 4.6 11.2 1.0 C A:LYS25 4.7 9.4 1.0 C A:CYS74 4.7 12.3 1.0 C A:LYS73 4.8 14.2 1.0 C A:CYS26 4.8 10.0 1.0 CB A:LYS73 4.8 15.0 0.6 CB A:TYR28 4.8 8.4 1.0 N A:GLY27 4.8 9.1 1.0 N A:GLY75 4.9 10.7 1.0 CB A:ASN76 4.9 11.8 1.0 N A:TYR28 4.9 7.8 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.