Zinc in PDB 3rj8: Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale

All present enzymatic activity of Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale:
1.1.3.4;

The structure of Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale, PDB code: 3rj8 was solved by J.Duskova, T.Skalova, A.Stepankova, T.Koval, J.Hasek, L.H.Ostergaard, C.C.Fuglsang, P.Kolenko, J.Dohnalek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	133.710, 56.960, 87.050, 90.00, 95.85, 90.00
R / Rfree (%)	15.5 / n/a

The structure of Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale (pdb code 3rj8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale, PDB code: 3rj8:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale


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 Carbohydrate Oxidase From Microdochium Nivale within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:15.4 occ:0.50 OD1 A:ASP306 1.9 16.4 1.0 ND1 A:HIS307 2.1 15.1 1.0 CG A:ASP306 2.8 16.8 1.0 CE1 A:HIS307 2.9 14.8 1.0 OD2 A:ASP306 3.1 17.6 1.0 CG A:HIS307 3.2 14.8 1.0 CB A:HIS307 3.6 14.6 1.0 N A:HIS307 3.9 14.7 1.0 NE2 A:HIS307 4.0 15.8 1.0 C A:ASP306 4.1 14.7 1.0 CD2 A:HIS307 4.2 15.1 1.0 CB A:ASP306 4.2 15.9 1.0 CA A:HIS307 4.4 15.1 1.0 O A:ASP306 4.4 14.2 1.0 CA A:ASP306 4.5 15.5 1.0 O A:HOH632 4.8 13.7 1.0 N A:ASP306 4.8 16.0 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale


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 Carbohydrate Oxidase From Microdochium Nivale within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:13.0 occ:0.50 OE2 A:GLU231 2.0 17.7 1.0 OD2 A:ASP235 2.1 14.2 1.0 CG A:ASP235 2.8 13.6 1.0 OD1 A:ASP235 3.0 13.3 1.0 CD A:GLU231 3.0 18.4 1.0 CG A:GLU231 3.4 17.1 1.0 O A:HOH814 3.9 28.1 1.0 NZ A:LYS330 4.1 13.1 1.0 OE1 A:GLU231 4.2 19.7 1.0 CB A:ASP235 4.3 12.9 1.0 O A:GLU231 4.5 14.5 1.0 CE A:LYS330 4.6 13.2 1.0 O A:HOH816 4.7 17.9 1.0 CB A:GLU231 4.9 16.2 1.0 C A:GLU231 4.9 15.4 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of Carbohydrate Oxidase From Microdochium Nivale


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 Carbohydrate Oxidase From Microdochium Nivale within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:30.5 occ:0.50 ND1 A:HIS114 2.2 10.4 1.0 OD1 A:ASP309 2.3 13.9 1.0 OD2 A:ASP309 2.4 15.8 1.0 O A:HOH910 2.6 2.0 0.5 CE1 A:HIS114 2.6 10.0 1.0 CG A:ASP309 2.6 14.9 1.0 O A:HOH847 2.8 5.8 0.5 CG A:HIS114 3.4 10.1 1.0 NE2 A:HIS114 3.9 10.4 1.0 CB A:HIS114 4.1 9.7 1.0 CB A:ASP309 4.1 14.7 1.0 CD2 A:HIS114 4.3 10.2 1.0 CG2 A:ILE311 4.3 13.0 1.0 CG2 A:VAL118 4.3 10.4 1.0 CA A:HIS114 4.4 9.8 1.0 O A:HIS114 4.5 11.0 1.0 CG2 A:THR117 4.9 8.7 1.0 C A:HIS114 4.9 10.2 1.0 CB A:THR117 4.9 8.9 1.0 CA A:ASP309 4.9 15.3 1.0 O A:HOH644 4.9 7.8 1.0

J.Duskova, T.Skalova, P.Kolenko, A.Stepankova, T.Koval, J.Hasek, L.H.Ostergaard, C.C.Fuglsang, J.Dohnalek. Crystal Structure and Kinetic Studies of Carbohydrate Oxidase From Microdochium Nivale To Be Published.