Zinc in PDB 3rxz: Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis

The structure of Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis, PDB code: 3rxz was solved by K.Michalska, C.Tesar, J.Bearden, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.13 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.212, 59.592, 130.387, 90.00, 95.35, 90.00
R / Rfree (%)	17.5 / 21.1

The structure of Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Zinc atom in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis (pdb code 3rxz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis, PDB code: 3rxz:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn299 b:33.1 occ:0.86 O A:HOH302 2.1 29.6 1.0 OD2 A:ASP31 2.1 47.6 1.0 NE2 A:HIS104 2.2 27.8 1.0 NE2 A:HIS108 2.2 27.8 1.0 O A:HOH303 2.4 31.0 1.0 OD1 A:ASP31 2.6 35.1 1.0 CG A:ASP31 2.6 35.0 1.0 CD2 A:HIS108 3.2 28.4 1.0 CD2 A:HIS104 3.2 28.6 1.0 CE1 A:HIS104 3.3 28.2 1.0 CE1 A:HIS108 3.3 27.8 1.0 OD2 A:ASP29 3.8 27.8 1.0 CB A:ASP29 3.9 26.6 1.0 CB A:ASP31 4.1 25.7 1.0 CG A:ASP29 4.2 31.3 1.0 NE2 A:HIS239 4.3 26.8 1.0 CG A:HIS108 4.3 29.4 1.0 CG A:HIS104 4.3 28.4 1.0 ND1 A:HIS104 4.4 29.2 1.0 ND1 A:HIS108 4.4 29.2 1.0 N A:MSE145 4.6 28.8 1.0 CD2 A:HIS239 4.7 26.6 1.0 CA A:PRO144 4.7 24.0 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn299 b:36.1 occ:0.88 O B:HOH301 2.1 28.1 1.0 O B:HOH300 2.2 33.1 1.0 NE2 B:HIS108 2.3 33.4 1.0 OD2 B:ASP31 2.3 47.9 1.0 NE2 B:HIS104 2.3 33.7 1.0 OD1 B:ASP31 2.4 36.5 1.0 CG B:ASP31 2.7 37.6 1.0 CD2 B:HIS108 3.1 33.9 1.0 CD2 B:HIS104 3.3 35.0 1.0 CE1 B:HIS104 3.3 33.9 1.0 CE1 B:HIS108 3.4 32.8 1.0 OD2 B:ASP29 3.8 37.8 1.0 CB B:ASP29 4.0 30.4 1.0 NE2 B:HIS239 4.0 35.9 1.0 CB B:ASP31 4.2 29.6 1.0 CG B:ASP29 4.3 33.3 1.0 CG B:HIS108 4.3 31.9 1.0 CG B:HIS104 4.4 34.7 1.0 ND1 B:HIS104 4.4 35.4 1.0 ND1 B:HIS108 4.5 33.3 1.0 CD2 B:HIS239 4.5 35.9 1.0 N B:MSE145 4.7 36.8 1.0 CA B:PRO144 4.8 26.2 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn299 b:38.9 occ:0.98 O C:HOH365 2.2 40.4 1.0 OD2 C:ASP31 2.2 35.6 1.0 NE2 C:HIS104 2.3 28.2 1.0 NE2 C:HIS108 2.3 26.8 1.0 O C:HOH300 2.4 34.3 1.0 OD1 C:ASP31 2.6 33.3 1.0 CG C:ASP31 2.7 32.4 1.0 CD2 C:HIS108 3.0 26.9 1.0 CD2 C:HIS104 3.2 28.9 1.0 CE1 C:HIS104 3.3 28.7 1.0 CE1 C:HIS108 3.4 27.1 1.0 OD2 C:ASP29 3.8 31.2 1.0 NE2 C:HIS239 4.0 31.4 1.0 CB C:ASP29 4.0 26.0 1.0 CB C:ASP31 4.2 26.1 1.0 CG C:HIS108 4.3 26.8 1.0 CG C:ASP29 4.3 32.3 1.0 CG C:HIS104 4.4 27.0 1.0 ND1 C:HIS104 4.4 28.2 1.0 ND1 C:HIS108 4.5 28.3 1.0 CD2 C:HIS239 4.5 31.9 1.0 N C:MSE145 4.7 28.1 1.0 CA C:PRO144 4.8 26.4 1.0 CA C:ASP31 5.0 25.6 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn299 b:35.5 occ:0.93 O D:HOH300 2.1 27.3 1.0 NE2 D:HIS108 2.1 27.0 1.0 OD2 D:ASP31 2.3 41.4 1.0 NE2 D:HIS104 2.3 27.0 1.0 O D:HOH301 2.4 33.3 1.0 OD1 D:ASP31 2.5 37.5 1.0 CG D:ASP31 2.7 36.4 1.0 CD2 D:HIS108 3.0 27.4 1.0 CE1 D:HIS108 3.2 27.0 1.0 CD2 D:HIS104 3.2 26.6 1.0 CE1 D:HIS104 3.3 26.2 1.0 OD2 D:ASP29 4.0 37.6 1.0 CB D:ASP29 4.0 27.4 1.0 NE2 D:HIS239 4.1 28.9 1.0 CB D:ASP31 4.2 26.0 1.0 CG D:HIS108 4.2 27.0 1.0 ND1 D:HIS108 4.3 27.7 1.0 CG D:HIS104 4.4 26.8 1.0 CG D:ASP29 4.4 34.4 1.0 ND1 D:HIS104 4.4 27.9 1.0 CD2 D:HIS239 4.5 28.3 1.0 N D:MSE145 4.7 28.9 1.0 CA D:PRO144 4.7 28.6 1.0

K.Michalska, C.Tesar, J.Bearden, A.Joachimiak. Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis To Be Published.