Arsenic in PDB 6qa0: MSRB3 - Aa 1-137

All present enzymatic activity of MSRB3 - Aa 1-137:
1.8.4.12; 1.8.4.14;

The structure of MSRB3 - Aa 1-137, PDB code: 6qa0 was solved by G.Javitt, D.Fass, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.65 / 1.71
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.149, 85.713, 49.167, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 22.2

The structure of MSRB3 - Aa 1-137 also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Arsenic atom in the MSRB3 - Aa 1-137 (pdb code 6qa0). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the MSRB3 - Aa 1-137, PDB code: 6qa0:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the MSRB3 - Aa 1-137


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of MSRB3 - Aa 1-137 within 5.0Å range: probe atom residue distance (Å) B Occ A:As126 b:27.6 occ:1.00 AS A:CAF126 0.0 27.6 1.0 O1 A:CAF126 1.6 41.8 1.0 CE2 A:CAF126 2.0 23.7 1.0 CE1 A:CAF126 2.0 27.6 1.0 SG A:CAF126 2.3 24.0 1.0 HE23 A:CAF126 2.5 28.5 1.0 HE22 A:CAF126 2.5 28.5 1.0 HE21 A:CAF126 2.5 28.5 1.0 HE13 A:CAF126 2.5 33.1 1.0 HE12 A:CAF126 2.5 33.1 1.0 HE11 A:CAF126 2.5 33.1 1.0 HB2 A:CAF126 3.1 29.1 1.0 CB A:CAF126 3.3 24.3 1.0 O A:CAF126 3.4 19.5 1.0 O A:HOH376 3.6 36.1 1.0 C A:CAF126 3.8 19.6 1.0 HB3 A:CAF126 4.1 29.1 1.0 ND1 A:HIS112 4.1 24.1 1.0 CA A:CAF126 4.2 20.9 1.0 O A:HOH360 4.3 14.7 1.0 N A:HIS112 4.4 16.2 1.0 CD2 A:TRP74 4.5 22.2 1.0 CG A:TRP74 4.6 19.4 1.0 N A:ILE127 4.6 18.1 1.0 HA A:CAF126 4.6 25.1 1.0 CE3 A:TRP74 4.7 22.4 1.0 CB A:HIS112 4.7 21.8 1.0 CA A:GLY111 4.8 18.3 1.0 CB A:TRP74 4.9 20.6 1.0 CG A:HIS112 4.9 22.2 1.0 C A:GLY111 4.9 18.0 1.0 CE2 A:TRP74 4.9 23.1 1.0

Arsenic binding site 2 out of 2 in the MSRB3 - Aa 1-137


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of MSRB3 - Aa 1-137 within 5.0Å range: probe atom residue distance (Å) B Occ B:As126 b:29.5 occ:1.00 AS B:CAF126 0.0 29.5 1.0 O1 B:CAF126 1.6 39.1 1.0 CE1 B:CAF126 2.0 28.0 1.0 CE2 B:CAF126 2.0 25.0 1.0 SG B:CAF126 2.3 27.6 1.0 HE13 B:CAF126 2.5 33.6 1.0 HE11 B:CAF126 2.5 33.6 1.0 HE12 B:CAF126 2.5 33.6 1.0 HE22 B:CAF126 2.5 30.0 1.0 HE21 B:CAF126 2.5 30.0 1.0 HE23 B:CAF126 2.5 30.0 1.0 HB3 B:CAF126 3.0 26.0 1.0 CB B:CAF126 3.3 21.7 1.0 O B:CAF126 3.4 20.9 1.0 O B:HOH350 3.7 30.5 1.0 C B:CAF126 3.9 21.7 1.0 HB2 B:CAF126 4.0 26.0 1.0 ND1 B:HIS112 4.1 23.3 1.0 CA B:CAF126 4.2 20.5 1.0 O B:HOH407 4.3 16.1 1.0 CD2 B:TRP74 4.6 22.5 1.0 N B:HIS112 4.6 21.3 1.0 O A:HOH354 4.6 44.7 1.0 N B:ILE127 4.6 19.1 1.0 CG B:TRP74 4.6 23.4 1.0 HA B:CAF126 4.7 24.6 1.0 CE3 B:TRP74 4.7 25.5 1.0 CA B:GLY111 4.8 17.8 1.0 CB B:TRP74 4.9 19.9 1.0 CB B:HIS112 4.9 23.1 1.0 CE2 B:TRP74 5.0 20.6 1.0 CG B:HIS112 5.0 17.8 1.0

G.Javitt, C.Zhenbo, N.Bulleid, D.Fass. Structure of A Human Endoplasmic Reticulum Methionine Sulfoxide Reductase To Be Published.