Zinc in PDB 3kzy: Crystal Structure of Snap-Tag

All present enzymatic activity of Crystal Structure of Snap-Tag:
2.1.1.63;

The structure of Crystal Structure of Snap-Tag, PDB code: 3kzy was solved by M.Bannwarth, S.Schmitt, F.Pojer, M.Schiltz, K.Johnsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.20 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	112.535, 112.535, 64.823, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 26.1

The binding sites of Zinc atom in the Crystal Structure of Snap-Tag (pdb code 3kzy). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Snap-Tag, PDB code: 3kzy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Snap-Tag


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 Snap-Tag within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn180 b:30.0 occ:1.00 ND1 A:HIS85 2.0 22.6 1.0 NE2 A:HIS29 2.2 24.1 1.0 SG A:CYS5 2.3 38.6 1.0 SG A:CYS24 2.3 32.5 1.0 CE1 A:HIS85 3.0 22.1 1.0 CG A:HIS85 3.1 23.8 1.0 CE1 A:HIS29 3.1 24.1 1.0 CD2 A:HIS29 3.2 25.1 1.0 CB A:CYS5 3.3 49.5 1.0 CB A:CYS24 3.5 33.4 1.0 CB A:HIS85 3.5 23.0 1.0 O A:HIS85 3.9 22.9 1.0 O A:HOH270 4.0 43.7 1.0 NE2 A:HIS85 4.1 22.9 1.0 CD2 A:HIS85 4.2 22.5 1.0 ND1 A:HIS29 4.3 22.5 1.0 CG A:HIS29 4.3 23.2 1.0 O A:HOH217 4.4 38.3 1.0 C A:HIS85 4.5 22.8 1.0 N A:CYS24 4.6 32.6 1.0 CA A:HIS85 4.6 22.8 1.0 CA A:CYS24 4.6 33.4 1.0 NE2 A:GLN90 4.6 25.1 1.0 CB A:GLN26 4.7 31.2 1.0 SD A:MET7 4.7 45.0 1.0 CA A:CYS5 4.7 50.1 1.0 O A:GLY27 4.8 24.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Snap-Tag


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 Snap-Tag within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn200 b:36.0 occ:1.00 ND1 B:HIS85 2.0 24.6 1.0 NE2 B:HIS29 2.2 32.3 1.0 SG B:CYS24 2.3 41.9 1.0 SG B:CYS5 2.4 52.0 1.0 CE1 B:HIS85 2.9 32.0 1.0 CE1 B:HIS29 3.0 31.1 1.0 CG B:HIS85 3.0 27.4 1.0 CB B:CYS24 3.3 42.1 1.0 CD2 B:HIS29 3.4 30.3 1.0 CB B:CYS5 3.4 59.3 1.0 CB B:HIS85 3.4 26.8 1.0 O B:HOH289 3.8 47.2 1.0 O B:HIS85 3.9 27.2 1.0 NE2 B:HIS85 4.0 29.5 1.0 CD2 B:HIS85 4.1 28.6 1.0 ND1 B:HIS29 4.2 29.3 1.0 CG B:HIS29 4.4 28.9 1.0 C B:HIS85 4.5 25.9 1.0 CA B:HIS85 4.6 26.8 1.0 CA B:CYS24 4.6 42.9 1.0 CA B:CYS5 4.7 59.7 1.0 CB B:GLN26 4.7 40.8 1.0 NE2 B:GLN90 4.7 28.4 1.0 N B:CYS24 4.7 42.2 1.0 O B:GLY27 4.7 34.8 1.0 SD B:MET7 4.9 61.9 1.0

S.Schmitt, B.Mollwitz, F.Pojer, M.Bannwarth, M.Schiltz, K.Johnsson. Snap-Tag Structure To Be Published.