Manganese in PDB 9koq: Crystal Structure of An Arylsulfatase From Enterococcus Faecium

The structure of Crystal Structure of An Arylsulfatase From Enterococcus Faecium, PDB code: 9koq was solved by L.Guo, Y.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.93 / 1.96
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	151.594, 151.594, 97.176, 90, 90, 90
R / Rfree (%)	15.7 / 17.7

The binding sites of Manganese atom in the Crystal Structure of An Arylsulfatase From Enterococcus Faecium (pdb code 9koq). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of An Arylsulfatase From Enterococcus Faecium, PDB code: 9koq:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of An Arylsulfatase From Enterococcus Faecium


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of An Arylsulfatase From Enterococcus Faecium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:25.1 occ:1.00 SG A:ALS61 2.1 33.4 0.6 OD2 A:ASP311 2.1 23.7 1.0 OD1 A:ASP20 2.1 22.5 1.0 NE2 A:HIS312 2.2 23.9 1.0 OS1 A:ALS61 2.3 31.0 0.4 OD2 A:ASP20 2.7 27.7 1.0 CG A:ASP20 2.7 23.6 1.0 CG A:ASP311 2.9 21.3 1.0 CD2 A:HIS312 3.0 22.6 1.0 OD1 A:ASP311 3.1 20.1 1.0 CB A:ALS61 3.1 26.4 0.4 CE1 A:HIS312 3.1 22.3 1.0 OS2 A:ALS61 3.1 34.1 0.4 CB A:ALS61 3.2 26.5 0.6 OG A:ALS61 3.4 21.5 0.4 CA A:ALS61 3.4 23.9 0.4 CA A:ALS61 3.4 23.6 0.6 S A:ALS61 3.4 36.3 0.4 N A:ALS61 3.8 24.5 0.4 N A:ALS61 3.9 24.3 0.6 CB A:ASP20 4.1 21.7 1.0 CG A:HIS312 4.2 21.3 1.0 ND1 A:HIS312 4.2 20.9 1.0 NZ A:LYS110 4.2 30.5 1.0 OS4 A:ALS61 4.2 31.6 0.4 OS3 A:ALS61 4.3 31.4 0.4 CB A:ASP311 4.3 19.4 1.0 CD2 A:HIS220 4.4 29.7 1.0 N A:GLN21 4.4 20.9 1.0 NE A:ARG65 4.4 21.6 1.0 CA A:ASP20 4.5 20.6 1.0 NH2 A:ARG65 4.5 21.8 1.0 OE1 A:GLN21 4.6 25.3 1.0 C A:SER60 4.7 25.5 1.0 C A:ASP20 4.7 19.0 1.0 C A:ALS61 4.8 24.8 0.6 C A:ALS61 4.8 24.7 0.4 CE A:LYS324 4.9 30.1 1.0 CZ A:ARG65 5.0 22.9 1.0 CB A:GLN21 5.0 21.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of An Arylsulfatase From Enterococcus Faecium


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of An Arylsulfatase From Enterococcus Faecium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:27.0 occ:1.00 OS1 B:ALS61 1.9 32.2 0.4 OD2 B:ASP311 2.1 25.0 1.0 OD1 B:ASP20 2.1 28.9 1.0 NE2 B:HIS312 2.2 26.2 1.0 SG B:ALS61 2.3 40.0 0.6 OD2 B:ASP20 2.6 26.5 1.0 CG B:ASP20 2.6 25.8 1.0 CB B:ALS61 2.9 28.7 0.4 CG B:ASP311 2.9 22.3 1.0 CD2 B:HIS312 3.0 24.6 1.0 S B:ALS61 3.0 45.7 0.4 OD1 B:ASP311 3.1 23.2 1.0 OS4 B:ALS61 3.2 37.5 0.4 CE1 B:HIS312 3.2 25.6 1.0 CB B:ALS61 3.2 28.8 0.6 CA B:ALS61 3.3 27.2 0.4 OG B:ALS61 3.3 21.7 0.4 CA B:ALS61 3.4 27.1 0.6 OS2 B:ALS61 3.7 31.6 0.4 N B:ALS61 3.8 26.0 0.4 N B:ALS61 3.8 26.0 0.6 OS3 B:ALS61 4.0 33.3 0.4 CB B:ASP20 4.1 24.0 1.0 NZ B:LYS110 4.1 32.4 1.0 CG B:HIS312 4.1 24.7 1.0 ND1 B:HIS312 4.2 22.7 1.0 CD2 B:HIS220 4.2 32.9 1.0 CB B:ASP311 4.3 22.8 1.0 N B:GLN21 4.4 22.2 1.0 NE B:ARG65 4.5 24.5 1.0 CA B:ASP20 4.5 24.0 1.0 NH2 B:ARG65 4.5 21.9 1.0 OE1 B:GLN21 4.7 28.1 1.0 C B:SER60 4.7 24.7 1.0 C B:ALS61 4.7 25.8 0.4 C B:ASP20 4.7 22.7 1.0 C B:ALS61 4.7 25.8 0.6 CE B:LYS324 4.9 29.0 1.0 CB B:GLN21 5.0 25.2 1.0

L.Guo, Y.Huang. Crystal Structure of An Arylsulfatase From Enterococcus Faecium To Be Published.