Zinc in PDB 3tkk: Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis

The structure of Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis, PDB code: 3tkk was solved by M.Qian, Q.Huang, G.Wu, L.Lai, Y.Tang, J.Pei, M.Kusunoki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.230, 152.882, 100.255, 90.00, 99.49, 90.00
R / Rfree (%)	17.4 / 23.7

The structure of Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Zinc atom in the Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis (pdb code 3tkk). 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 Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis, PDB code: 3tkk:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:7.4 occ:0.70 O A:HOH343 2.0 4.2 1.0 NE2 A:HIS184 2.1 20.2 1.0 OD1 A:ASP182 2.1 22.1 1.0 OE1 A:GLU198 2.1 23.6 1.0 OD2 A:CSD37 2.2 38.4 0.7 OE2 A:GLU198 2.2 24.7 1.0 CD A:GLU198 2.5 21.5 1.0 CG A:ASP182 3.0 17.0 1.0 CD2 A:HIS184 3.0 17.3 1.0 OD2 A:ASP182 3.1 17.9 1.0 CE1 A:HIS184 3.2 17.1 1.0 SG A:CSD37 3.2 46.4 0.7 CA A:CA302 3.5 6.9 1.0 CB A:CSD37 3.8 40.6 1.0 O A:HOH368 4.0 13.8 1.0 OE2 A:GLU191 4.0 18.1 1.0 CG A:GLU198 4.0 19.4 1.0 CG A:HIS184 4.2 18.8 1.0 ND1 A:HIS184 4.2 19.2 1.0 O A:HOH329 4.3 4.4 1.0 O A:ASP182 4.3 17.0 1.0 CB A:ASP182 4.4 17.2 1.0 OD1 A:ASP157 4.4 19.8 1.0 OD1 A:CSD37 4.5 49.5 0.7 N A:GLY196 4.5 18.3 1.0 O A:HOH340 4.8 15.6 1.0 CB A:GLU198 4.9 19.9 1.0 C A:ASP182 4.9 17.4 1.0 CA A:ASP182 4.9 19.2 1.0 O A:LEU183 5.0 18.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn303 b:8.6 occ:1.00 O B:HOH709 2.0 4.3 1.0 OE1 B:GLU198 2.1 37.6 1.0 OD1 B:ASP182 2.1 35.9 1.0 OE2 B:GLU198 2.1 40.1 1.0 NE2 B:HIS184 2.1 38.1 1.0 OD2 B:CSD37 2.2 54.2 1.0 CD B:GLU198 2.3 38.6 1.0 CG B:ASP182 2.9 35.4 1.0 CD2 B:HIS184 3.0 38.7 1.0 OD2 B:ASP182 3.0 36.7 1.0 CE1 B:HIS184 3.2 37.2 1.0 SG B:CSD37 3.5 63.4 1.0 CA B:CA304 3.7 5.8 1.0 OE1 B:GLU191 3.8 36.7 1.0 CG B:GLU198 3.8 41.7 1.0 CB B:CSD37 3.9 57.2 1.0 O B:HOH708 4.0 6.5 1.0 O B:HOH423 4.1 5.0 1.0 CG B:HIS184 4.2 37.8 1.0 ND1 B:HIS184 4.2 37.6 1.0 CB B:ASP182 4.3 35.2 1.0 O B:ASP182 4.4 34.9 1.0 N B:GLY196 4.5 37.2 1.0 OD1 B:ASP157 4.6 37.7 1.0 OD1 B:CSD37 4.8 64.3 1.0 CB B:GLU198 4.8 39.4 1.0 C B:ASP182 4.8 35.4 1.0 CA B:ASP182 4.9 35.7 1.0 OD2 B:ASP157 5.0 37.8 1.0 O B:LEU183 5.0 38.3 1.0

Zinc binding site 3 out of 4 in the Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn305 b:2.0 occ:0.70 O C:HOH832 1.8 5.7 1.0 OD1 C:ASP182 2.0 30.9 1.0 OE1 C:GLU198 2.0 35.8 1.0 NE2 C:HIS184 2.1 30.6 1.0 OE2 C:GLU198 2.1 35.0 1.0 OD2 C:CSD37 2.2 42.6 0.7 CD C:GLU198 2.3 35.0 1.0 CG C:ASP182 2.8 29.1 1.0 OD2 C:ASP182 3.0 28.4 1.0 CE1 C:HIS184 3.1 29.6 1.0 CD2 C:HIS184 3.1 33.9 1.0 SG C:CSD37 3.3 55.3 0.7 CA C:CA306 3.7 4.2 1.0 CB C:CSD37 3.8 47.9 1.0 O C:HOH454 3.9 9.3 1.0 CG C:GLU198 3.9 36.4 1.0 O C:HOH628 4.0 8.2 1.0 OE2 C:GLU191 4.1 27.9 1.0 CB C:ASP182 4.2 27.4 1.0 O C:HOH332 4.2 2.0 1.0 ND1 C:HIS184 4.2 29.4 1.0 CG C:HIS184 4.3 31.2 1.0 O C:ASP182 4.5 27.2 1.0 OD1 C:CSD37 4.6 55.6 0.7 N C:GLY196 4.6 30.6 1.0 CA C:ASP182 4.7 28.3 1.0 CB C:GLU198 4.7 36.1 1.0 OD1 C:ASP157 4.7 28.1 1.0 C C:ASP182 4.9 28.0 1.0

Zinc binding site 4 out of 4 in the Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure Analysis of A Recombinant Predicted Acetamidase/ Formamidase From the Thermophile Thermoanaerobacter Tengcongensis within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn307 b:12.9 occ:1.00 OE1 D:GLU198 2.0 39.5 1.0 OD1 D:ASP182 2.1 36.9 1.0 NE2 D:HIS184 2.1 35.4 1.0 OE2 D:GLU198 2.1 39.3 1.0 OD2 D:CSD37 2.2 58.0 1.0 CD D:GLU198 2.3 40.1 1.0 O D:HOH345 2.3 2.0 1.0 CG D:ASP182 2.9 36.0 1.0 CD2 D:HIS184 3.0 37.1 1.0 SG D:CSD37 3.1 67.2 1.0 OD2 D:ASP182 3.1 36.2 1.0 CE1 D:HIS184 3.2 34.6 1.0 CA D:CA308 3.7 7.1 1.0 CB D:CSD37 3.7 60.2 1.0 O D:HOH835 3.8 14.7 1.0 CG D:GLU198 3.9 38.9 1.0 CG D:HIS184 4.2 35.9 1.0 ND1 D:HIS184 4.2 34.9 1.0 CB D:ASP182 4.3 35.9 1.0 O D:HOH742 4.4 3.6 1.0 OD1 D:CSD37 4.4 67.3 1.0 OE2 D:GLU191 4.4 34.2 1.0 O D:ASP182 4.4 34.8 1.0 N D:GLY196 4.5 33.3 1.0 CB D:GLU198 4.6 37.0 1.0 CA D:ASP182 4.7 36.5 1.0 C D:ASP182 4.8 37.2 1.0 CA D:CSD37 4.8 60.1 1.0 OD1 D:ASP157 4.8 38.5 1.0 O D:LEU183 4.9 36.2 1.0 O D:HOH337 4.9 16.3 1.0

M.Qian, Q.Huang, G.Wu, L.Lai, Y.Tang, J.Pei, M.Kusunoki. Crystal Structure Analysis of A Recombinant Predicted Acetamidase/Formamidase From the Thermophile Thermoanaerobacter Tengcongensis. Protein J. V. 31 166 2012.
ISSN: ISSN 1572-3887
PubMed: 22207484
DOI: 10.1007/S10930-011-9387-0