Zinc in PDB 1t0b: Structure of Thua-Like Protein From Bacillus Stearothermophilus

The structure of Structure of Thua-Like Protein From Bacillus Stearothermophilus, PDB code: 1t0b was solved by D.Borek, Y.Chen, F.Collart, A.Joachimiak, Z.Otwinowski, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.542, 74.603, 123.518, 90.84, 97.78, 118.69
R / Rfree (%)	14.5 / 17.5

The binding sites of Zinc atom in the Structure of Thua-Like Protein From Bacillus Stearothermophilus (pdb code 1t0b). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Structure of Thua-Like Protein From Bacillus Stearothermophilus, PDB code: 1t0b:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in the Structure of Thua-Like Protein From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Thua-Like Protein From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn3001 b:38.6 occ:0.20 O A:HOH3030 1.7 21.2 1.0 O A:HOH3006 2.0 19.5 1.0 ND1 A:HIS199 2.4 20.5 1.0 NE2 A:HIS101 2.4 14.3 1.0 OE1 A:GLU153 2.7 28.8 1.0 CE1 A:HIS199 2.7 26.2 1.0 CD2 A:HIS101 3.1 18.6 1.0 CE1 A:HIS101 3.5 17.2 1.0 OH A:TYR155 3.6 17.2 1.0 CD A:GLU153 3.7 23.3 1.0 CG A:HIS199 3.7 18.0 1.0 OE1 A:GLU200 3.9 19.5 1.0 CB A:SER102 4.0 13.1 1.0 OG A:SER102 4.0 14.1 1.0 NE2 A:HIS199 4.0 21.2 1.0 CE1 A:HIS73 4.0 21.0 1.0 NE2 A:HIS73 4.1 20.8 1.0 OE2 A:GLU153 4.2 26.1 1.0 CG A:HIS101 4.3 14.0 1.0 O A:HOH3087 4.3 37.6 1.0 CE1 A:TYR155 4.4 15.3 1.0 CZ A:TYR155 4.4 18.6 1.0 ND1 A:HIS73 4.4 18.6 1.0 ND1 A:HIS101 4.4 15.4 1.0 CD2 A:HIS73 4.5 18.2 1.0 CB A:HIS199 4.5 17.9 1.0 CD2 A:HIS199 4.5 22.2 1.0 CA A:HIS199 4.6 16.9 1.0 CG A:HIS73 4.7 16.2 1.0 CG A:GLU153 4.7 17.9 1.0 CD A:GLU200 4.7 21.5 1.0 O A:HOH3016 4.8 20.8 1.0 CB A:GLU153 4.8 17.1 1.0 OE2 A:GLU200 4.8 24.3 1.0 CA A:SER102 4.9 13.6 1.0 N A:SER102 5.0 13.3 1.0

Zinc binding site 2 out of 8 in the Structure of Thua-Like Protein From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Thua-Like Protein From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn3002 b:39.7 occ:0.20 O B:HOH3030 1.8 20.9 1.0 O B:HOH3007 1.8 15.8 1.0 ND1 B:HIS199 2.2 19.0 1.0 NE2 B:HIS101 2.4 16.5 1.0 CE1 B:HIS199 2.6 22.1 1.0 OE1 B:GLU153 2.7 26.0 1.0 CD2 B:HIS101 3.1 13.3 1.0 CE1 B:HIS101 3.4 18.7 1.0 CG B:HIS199 3.5 17.7 1.0 CD B:GLU153 3.7 22.6 1.0 OE1 B:GLU200 3.7 18.0 1.0 OH B:TYR155 3.7 15.8 1.0 NE2 B:HIS199 3.9 20.1 1.0 NE2 B:HIS73 4.0 19.9 1.0 CB B:SER102 4.0 11.4 1.0 O B:HOH3160 4.1 47.1 1.0 OG B:SER102 4.1 13.4 1.0 CE1 B:HIS73 4.1 21.7 1.0 OE2 B:GLU153 4.2 29.1 1.0 CB B:HIS199 4.2 15.8 1.0 CG B:HIS101 4.3 15.4 1.0 CD2 B:HIS73 4.3 20.0 1.0 CD2 B:HIS199 4.4 20.0 1.0 ND1 B:HIS101 4.4 15.1 1.0 CA B:HIS199 4.4 15.8 1.0 ND1 B:HIS73 4.5 17.1 1.0 CD B:GLU200 4.6 21.4 1.0 CG B:HIS73 4.6 17.4 1.0 CZ B:TYR155 4.6 15.9 1.0 CE1 B:TYR155 4.7 16.4 1.0 OE2 B:GLU200 4.7 23.4 1.0 CG B:GLU153 4.8 18.3 1.0 O B:HOH3159 4.8 40.9 1.0 CB B:GLU153 4.8 16.9 1.0 O B:HOH3017 4.8 21.8 1.0 CA B:SER102 5.0 13.0 1.0

Zinc binding site 3 out of 8 in the Structure of Thua-Like Protein From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Thua-Like Protein From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn3003 b:25.9 occ:0.20 O C:HOH3035 1.8 21.8 1.0 O C:HOH3012 2.0 16.9 1.0 ND1 C:HIS199 2.2 19.8 1.0 OE1 C:GLU153 2.3 27.6 1.0 NE2 C:HIS101 2.3 15.1 1.0 CE1 C:HIS199 2.7 23.1 1.0 CD2 C:HIS101 3.1 15.2 1.0 CD C:GLU153 3.3 22.6 1.0 CE1 C:HIS101 3.4 18.8 1.0 CG C:HIS199 3.5 16.9 1.0 OH C:TYR155 3.6 16.0 1.0 OE2 C:GLU153 3.9 24.1 1.0 OE1 C:GLU200 3.9 18.1 1.0 NE2 C:HIS199 4.0 20.4 1.0 CB C:HIS199 4.2 17.0 1.0 NE2 C:HIS73 4.2 23.7 1.0 OG C:SER102 4.2 13.8 1.0 CB C:SER102 4.2 12.8 1.0 CG C:HIS101 4.3 16.1 1.0 CE1 C:HIS73 4.3 19.5 1.0 ND1 C:HIS101 4.4 13.6 1.0 CD2 C:HIS199 4.4 19.7 1.0 CA C:HIS199 4.4 16.0 1.0 CG C:GLU153 4.4 17.9 1.0 CE1 C:TYR155 4.4 16.9 1.0 CZ C:TYR155 4.5 15.8 1.0 CB C:GLU153 4.6 16.7 1.0 CD2 C:HIS73 4.6 20.2 1.0 ND1 C:HIS73 4.7 17.1 1.0 O C:HOH3120 4.8 36.2 1.0 CD C:GLU200 4.8 24.2 1.0 O C:HOH3022 4.9 23.0 1.0 CG C:HIS73 4.9 15.5 1.0 OE2 C:GLU200 5.0 25.1 1.0

Zinc binding site 4 out of 8 in the Structure of Thua-Like Protein From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Thua-Like Protein From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn3008 b:29.6 occ:0.20 O D:HOH3040 1.8 19.2 1.0 O D:HOH3017 2.0 19.7 1.0 ND1 D:HIS199 2.2 17.4 1.0 NE2 D:HIS101 2.3 12.1 1.0 OE1 D:GLU153 2.4 27.1 1.0 CE1 D:HIS199 2.7 22.4 1.0 CD2 D:HIS101 3.0 13.3 1.0 CE1 D:HIS101 3.3 14.3 1.0 CD D:GLU153 3.5 20.8 1.0 CG D:HIS199 3.5 16.8 1.0 OH D:TYR155 3.6 14.0 1.0 OE1 D:GLU200 3.9 16.9 1.0 OE2 D:GLU153 4.0 26.7 1.0 NE2 D:HIS199 4.0 15.7 1.0 CB D:SER102 4.2 12.2 1.0 OG D:SER102 4.2 14.2 1.0 CB D:HIS199 4.2 16.4 1.0 CG D:HIS101 4.2 10.4 1.0 NE2 D:HIS73 4.3 21.9 1.0 ND1 D:HIS101 4.3 11.2 1.0 CE1 D:HIS73 4.4 17.9 1.0 CD2 D:HIS199 4.4 18.8 1.0 CA D:HIS199 4.4 15.9 1.0 CE1 D:TYR155 4.4 14.1 1.0 CZ D:TYR155 4.4 13.9 1.0 O D:HOH3160 4.5 37.9 1.0 CG D:GLU153 4.6 16.8 1.0 CD2 D:HIS73 4.6 19.3 1.0 CB D:GLU153 4.7 14.8 1.0 ND1 D:HIS73 4.7 18.2 1.0 CD D:GLU200 4.8 21.5 1.0 O D:HOH3027 4.9 25.6 1.0 CG D:HIS73 4.9 16.9 1.0 N D:SER102 5.0 11.4 1.0

Zinc binding site 5 out of 8 in the Structure of Thua-Like Protein From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of Thua-Like Protein From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn3005 b:37.0 occ:0.20 O E:HOH3034 1.9 18.2 1.0 O E:HOH3010 1.9 15.8 1.0 NE2 E:HIS101 2.1 15.2 1.0 ND1 E:HIS199 2.2 18.3 1.0 CE1 E:HIS199 2.7 22.3 1.0 CD2 E:HIS101 2.8 17.0 1.0 OE1 E:GLU153 3.0 32.9 1.0 CE1 E:HIS101 3.2 17.7 1.0 CG E:HIS199 3.5 15.9 1.0 OH E:TYR155 3.6 19.7 1.0 CD E:GLU153 3.7 24.3 1.0 OE1 E:GLU200 3.9 20.6 1.0 CG E:HIS101 4.0 11.3 1.0 NE2 E:HIS199 4.0 20.6 1.0 CB E:SER102 4.1 15.0 1.0 ND1 E:HIS101 4.1 14.2 1.0 OG E:SER102 4.1 14.6 1.0 CB E:HIS199 4.1 16.1 1.0 CA E:HIS199 4.2 15.7 1.0 OE2 E:GLU153 4.3 29.5 1.0 O E:HOH3204 4.3 49.7 1.0 O E:HOH3169 4.3 49.1 1.0 CD2 E:HIS199 4.4 17.4 1.0 CE1 E:HIS73 4.4 22.2 1.0 CZ E:TYR155 4.4 16.6 1.0 NE2 E:HIS73 4.5 22.0 1.0 CE1 E:TYR155 4.5 16.6 1.0 CB E:GLU153 4.6 17.4 1.0 CG E:GLU153 4.6 18.7 1.0 ND1 E:HIS73 4.7 19.1 1.0 CD2 E:HIS73 4.7 20.8 1.0 CD E:GLU200 4.8 23.2 1.0 OE2 E:GLU200 4.9 24.2 1.0 O E:HOH3019 4.9 25.5 1.0 CG E:HIS73 4.9 15.6 1.0 N E:SER102 4.9 14.5 1.0 CA E:SER102 5.0 14.4 1.0

Zinc binding site 6 out of 8 in the Structure of Thua-Like Protein From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure of Thua-Like Protein From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn3006 b:32.2 occ:0.20 O F:HOH3035 1.7 22.2 1.0 O F:HOH3012 1.9 18.4 1.0 ND1 F:HIS199 2.2 21.8 1.0 NE2 F:HIS101 2.5 17.8 1.0 CE1 F:HIS199 2.5 24.3 1.0 OE1 F:GLU153 2.5 31.9 1.0 CD2 F:HIS101 3.2 15.3 1.0 CE1 F:HIS101 3.5 14.7 1.0 CD F:GLU153 3.5 24.3 1.0 CG F:HIS199 3.5 19.3 1.0 OH F:TYR155 3.7 15.2 1.0 OE1 F:GLU200 3.7 18.5 1.0 NE2 F:HIS199 3.8 20.3 1.0 OE2 F:GLU153 4.0 30.0 1.0 CE1 F:HIS73 4.0 20.1 1.0 NE2 F:HIS73 4.1 21.0 1.0 OG F:SER102 4.1 13.8 1.0 CB F:SER102 4.1 13.5 1.0 CD2 F:HIS199 4.3 20.5 1.0 CG F:HIS101 4.3 13.1 1.0 CB F:HIS199 4.3 18.8 1.0 ND1 F:HIS73 4.4 23.1 1.0 ND1 F:HIS101 4.5 12.6 1.0 CA F:HIS199 4.5 16.2 1.0 CD2 F:HIS73 4.5 17.4 1.0 CZ F:TYR155 4.6 13.2 1.0 CE1 F:TYR155 4.6 15.4 1.0 CD F:GLU200 4.6 21.7 1.0 CG F:HIS73 4.7 17.1 1.0 CG F:GLU153 4.7 19.2 1.0 OE2 F:GLU200 4.7 26.8 1.0 CB F:GLU153 4.7 18.3 1.0 O F:HOH3174 4.8 38.7 1.0 O F:HOH3022 4.8 22.3 1.0

Zinc binding site 7 out of 8 in the Structure of Thua-Like Protein From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure of Thua-Like Protein From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn3007 b:26.0 occ:0.20 O G:HOH359 1.8 16.1 1.0 O G:HOH383 2.1 21.1 1.0 ND1 G:HIS199 2.1 18.8 1.0 NE2 G:HIS101 2.3 13.2 1.0 OE1 G:GLU153 2.4 29.5 1.0 CE1 G:HIS199 2.7 23.7 1.0 CD2 G:HIS101 3.0 10.7 1.0 CG G:HIS199 3.4 17.6 1.0 CE1 G:HIS101 3.4 17.0 1.0 CD G:GLU153 3.4 20.7 1.0 OE1 G:GLU200 3.7 17.5 1.0 OH G:TYR155 3.8 17.1 1.0 OE2 G:GLU153 3.9 26.5 1.0 NE2 G:HIS199 4.0 21.9 1.0 CB G:HIS199 4.0 15.2 1.0 OG G:SER102 4.1 12.7 1.0 CA G:HIS199 4.2 15.1 1.0 NE2 G:HIS73 4.2 21.7 1.0 CB G:SER102 4.2 11.6 1.0 CG G:HIS101 4.2 11.8 1.0 O G:HOH739 4.2 42.9 1.0 CE1 G:HIS73 4.3 19.4 1.0 CD2 G:HIS199 4.3 20.7 1.0 ND1 G:HIS101 4.4 12.8 1.0 CG G:GLU153 4.5 16.7 1.0 CZ G:TYR155 4.6 17.0 1.0 CE1 G:TYR155 4.6 15.1 1.0 CD G:GLU200 4.6 24.4 1.0 CD2 G:HIS73 4.6 16.6 1.0 ND1 G:HIS73 4.7 22.4 1.0 O G:HOH1193 4.7 38.7 1.0 CB G:GLU153 4.7 15.6 1.0 OE2 G:GLU200 4.8 23.4 1.0 O G:HOH369 4.9 25.3 1.0 CG G:HIS73 4.9 14.8 1.0

Zinc binding site 8 out of 8 in the Structure of Thua-Like Protein From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Structure of Thua-Like Protein From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn3004 b:12.8 occ:0.20 O H:HOH3035 1.6 18.1 1.0 OE1 H:GLU153 2.0 21.7 1.0 O H:HOH3012 2.2 18.8 1.0 NE2 H:HIS101 2.2 13.1 1.0 ND1 H:HIS199 2.3 20.8 1.0 O H:HOH3230 2.3 42.3 1.0 CE1 H:HIS199 2.9 23.6 1.0 CD H:GLU153 3.0 20.6 1.0 CE1 H:HIS101 3.1 15.9 1.0 CD2 H:HIS101 3.2 12.3 1.0 OE2 H:GLU153 3.5 28.6 1.0 CG H:HIS199 3.5 18.9 1.0 OH H:TYR155 3.6 15.4 1.0 CB H:HIS199 4.1 16.8 1.0 NE2 H:HIS199 4.1 20.3 1.0 ND1 H:HIS101 4.2 9.9 1.0 OE1 H:GLU200 4.2 20.0 1.0 CG H:HIS101 4.3 11.0 1.0 CE1 H:TYR155 4.3 12.3 1.0 CG H:GLU153 4.3 17.9 1.0 CA H:HIS199 4.3 15.8 1.0 CB H:SER102 4.3 12.9 1.0 CZ H:TYR155 4.4 13.7 1.0 OG H:SER102 4.4 13.0 1.0 CD2 H:HIS199 4.4 21.2 1.0 CB H:GLU153 4.5 15.5 1.0 CE1 H:HIS73 4.6 16.5 1.0 NE2 H:HIS73 4.6 19.2 1.0 O H:HOH3089 4.7 36.1 1.0 ND1 H:HIS73 4.9 14.1 1.0

D.Borek, Y.Chen, F.Collart, A.Joachimiak, Z.Otwinowski. Analysis of Chemical Interactions in Thua-Like Protein From Bacillus Stearothermophilus To Be Published.