Cobalt in PDB 3tn3: Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426

The structure of Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426, PDB code: 3tn3 was solved by J.An, Z.Zhang, Y.Zhang, Y.Feng, G.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.07 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.307, 88.146, 89.994, 90.00, 99.19, 90.00
R / Rfree (%)	17.8 / 19.4

The binding sites of Cobalt atom in the Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426 (pdb code 3tn3). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426, PDB code: 3tn3:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co327 b:27.7 occ:1.00 O A:HOH711 2.0 15.9 1.0 NE2 A:HIS25 2.1 14.5 1.0 NE2 A:HIS23 2.2 12.7 1.0 OD1 A:ASP266 2.2 15.8 1.0 OQ1 A:KCX145 2.3 17.1 1.0 CE1 A:HIS25 2.9 15.5 1.0 CD2 A:HIS23 3.1 13.7 1.0 O A:HOH712 3.1 51.7 1.0 CD2 A:HIS25 3.1 15.7 1.0 CG A:ASP266 3.1 16.3 1.0 CX A:KCX145 3.2 17.7 1.0 CE1 A:HIS23 3.2 15.4 1.0 OQ2 A:KCX145 3.4 15.1 1.0 OD2 A:ASP266 3.4 17.8 1.0 CO A:CO328 3.5 27.7 1.0 O A:HOH713 3.9 27.8 1.0 ND1 A:HIS25 4.1 14.8 1.0 CG A:HIS25 4.2 15.0 1.0 CE1 A:HIS206 4.2 13.9 1.0 CG A:HIS23 4.3 13.8 1.0 NZ A:KCX145 4.3 14.6 1.0 ND1 A:HIS23 4.3 14.3 1.0 NE2 A:HIS206 4.4 14.7 1.0 CB A:ASP266 4.5 15.1 1.0 CG A:PRO69 4.6 15.6 1.0 CA A:ASP266 4.9 15.1 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co328 b:27.7 occ:1.00 O A:HOH711 1.9 15.9 1.0 O A:HOH713 2.1 27.8 1.0 OQ2 A:KCX145 2.1 15.1 1.0 ND1 A:HIS178 2.2 12.4 1.0 NE2 A:HIS206 2.2 14.7 1.0 CE1 A:HIS178 3.0 13.8 1.0 CX A:KCX145 3.1 17.7 1.0 CE1 A:HIS206 3.2 13.9 1.0 CD2 A:HIS206 3.2 14.7 1.0 CG A:HIS178 3.3 13.1 1.0 CO A:CO327 3.5 27.7 1.0 OQ1 A:KCX145 3.5 17.1 1.0 NH2 A:ARG230 3.6 22.4 1.0 CB A:HIS178 3.6 12.8 1.0 CE1 A:TYR99 3.9 20.7 1.0 O A:HOH712 4.0 51.7 1.0 OH A:TYR99 4.2 21.9 1.0 OD2 A:ASP266 4.2 17.8 1.0 NE2 A:HIS178 4.2 13.8 1.0 NE2 A:HIS23 4.3 12.7 1.0 ND1 A:HIS206 4.3 14.9 1.0 NZ A:KCX145 4.3 14.6 1.0 CD2 A:HIS178 4.3 14.4 1.0 CE1 A:HIS23 4.3 15.4 1.0 CG A:HIS206 4.4 14.5 1.0 CZ A:ARG230 4.4 22.6 1.0 CA A:HIS178 4.5 12.7 1.0 CZ A:TYR99 4.6 20.3 1.0 NE A:ARG230 4.7 21.7 1.0 CE A:KCX145 4.7 14.6 1.0 OD1 A:ASP266 4.8 15.8 1.0 CG A:ASP266 4.9 16.3 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co327 b:22.1 occ:0.70 O B:HOH706 2.0 23.2 1.0 NE2 B:HIS25 2.1 17.3 1.0 NE2 B:HIS23 2.2 14.1 1.0 OQ1 B:KCX145 2.2 18.8 1.0 OD1 B:ASP266 2.3 17.2 1.0 CE1 B:HIS25 2.9 16.4 1.0 CD2 B:HIS23 3.1 16.1 1.0 CX B:KCX145 3.1 18.3 1.0 CD2 B:HIS25 3.2 16.5 1.0 CG B:ASP266 3.2 17.7 1.0 CE1 B:HIS23 3.2 16.4 1.0 OQ2 B:KCX145 3.4 16.3 1.0 CO B:CO328 3.5 23.4 0.7 OD2 B:ASP266 3.5 19.3 1.0 ND1 B:HIS25 4.1 16.4 1.0 O B:HOH707 4.1 39.6 1.0 NZ B:KCX145 4.2 17.1 1.0 CE1 B:HIS206 4.2 17.6 1.0 CG B:HIS25 4.3 16.1 1.0 CG B:HIS23 4.3 15.3 1.0 ND1 B:HIS23 4.3 15.6 1.0 NE2 B:HIS206 4.4 18.5 1.0 CB B:ASP266 4.5 16.8 1.0 CG B:PRO69 4.7 16.4 1.0 CA B:ASP266 4.9 16.6 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Gkap From Geobacillus Kaustophilus HTA426 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co328 b:23.4 occ:0.70 O B:HOH706 1.9 23.2 1.0 OQ2 B:KCX145 2.1 16.3 1.0 NE2 B:HIS206 2.2 18.5 1.0 ND1 B:HIS178 2.2 16.9 1.0 CE1 B:HIS178 3.1 17.0 1.0 CX B:KCX145 3.1 18.3 1.0 CE1 B:HIS206 3.2 17.6 1.0 CD2 B:HIS206 3.2 17.5 1.0 CG B:HIS178 3.2 16.0 1.0 OQ1 B:KCX145 3.5 18.8 1.0 CO B:CO327 3.5 22.1 0.7 CB B:HIS178 3.5 15.8 1.0 NH2 B:ARG230 3.7 25.6 1.0 CE1 B:TYR99 3.9 22.4 1.0 OH B:TYR99 4.0 24.5 1.0 OD2 B:ASP266 4.2 19.3 1.0 NE2 B:HIS178 4.3 16.7 1.0 ND1 B:HIS206 4.3 17.9 1.0 NZ B:KCX145 4.3 17.1 1.0 CG B:HIS206 4.3 17.6 1.0 NE2 B:HIS23 4.3 14.1 1.0 CE1 B:HIS23 4.3 16.4 1.0 CD2 B:HIS178 4.3 17.0 1.0 CZ B:ARG230 4.4 24.9 1.0 CZ B:TYR99 4.4 22.3 1.0 CA B:HIS178 4.4 16.4 1.0 NE B:ARG230 4.7 23.9 1.0 CE B:KCX145 4.7 16.6 1.0 OD1 B:ASP266 4.8 17.2 1.0 CG B:ASP266 4.9 17.7 1.0 CD1 B:TYR99 5.0 19.6 1.0

J.An, Z.Zhang, Y.Zhang, Y.Feng, G.Wu. Engineering A Thermostable Lactonase For Enhanced Phosphotriesterase Activity Against Organophosphate Pesticides To Be Published.