Cobalt in PDB 3tnb: Crystal Structure of Gkap Mutant G209D/R230H From Geobacillus Kaustophilus HTA426

The structure of Crystal Structure of Gkap Mutant G209D/R230H From Geobacillus Kaustophilus HTA426, PDB code: 3tnb 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)	50.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.293, 88.800, 89.314, 90.00, 98.86, 90.00
R / Rfree (%)	17.7 / 19.2

The binding sites of Cobalt atom in the Crystal Structure of Gkap Mutant G209D/R230H From Geobacillus Kaustophilus HTA426 (pdb code 3tnb). 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 Mutant G209D/R230H From Geobacillus Kaustophilus HTA426, PDB code: 3tnb:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of Gkap Mutant G209D/R230H 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 Mutant G209D/R230H From Geobacillus Kaustophilus HTA426 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co327 b:14.5 occ:1.00 O A:HOH329 2.0 16.6 1.0 NE2 A:HIS25 2.1 12.4 1.0 NE2 A:HIS23 2.1 11.7 1.0 OQ1 A:KCX145 2.1 12.4 1.0 OD1 A:ASP266 2.2 13.1 1.0 CX A:KCX145 3.0 12.9 1.0 CE1 A:HIS25 3.0 12.4 1.0 CD2 A:HIS23 3.1 11.8 1.0 CD2 A:HIS25 3.1 12.7 1.0 CG A:ASP266 3.1 14.5 1.0 CE1 A:HIS23 3.1 11.6 1.0 OQ2 A:KCX145 3.3 11.8 1.0 OD2 A:ASP266 3.3 15.0 1.0 CO A:CO328 3.5 16.9 1.0 O A:HOH610 3.8 43.0 1.0 NZ A:KCX145 4.1 12.1 1.0 ND1 A:HIS25 4.1 12.9 1.0 ND1 A:HIS23 4.2 12.0 1.0 CG A:HIS25 4.2 12.9 1.0 CG A:HIS23 4.2 11.8 1.0 OH A:TYR99 4.4 17.4 1.0 CE1 A:HIS206 4.4 13.0 1.0 CB A:ASP266 4.4 14.0 1.0 NE2 A:HIS206 4.6 13.3 1.0 CG A:PRO69 4.6 12.5 1.0 O A:HOH478 4.7 34.9 1.0 O A:HOH332 4.8 18.0 1.0 CA A:ASP266 5.0 14.2 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Gkap Mutant G209D/R230H 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 Mutant G209D/R230H From Geobacillus Kaustophilus HTA426 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co328 b:16.9 occ:1.00 O A:HOH329 2.1 16.6 1.0 OQ2 A:KCX145 2.1 11.8 1.0 ND1 A:HIS178 2.2 12.3 1.0 NE2 A:HIS206 2.2 13.3 1.0 O A:HOH332 2.4 18.0 1.0 OH A:TYR99 2.4 17.4 1.0 CE1 A:HIS178 3.1 12.4 1.0 CE1 A:HIS206 3.1 13.0 1.0 CX A:KCX145 3.2 12.9 1.0 CD2 A:HIS206 3.2 13.7 1.0 CG A:HIS178 3.2 11.5 1.0 CZ A:TYR99 3.5 16.9 1.0 OQ1 A:KCX145 3.5 12.4 1.0 CO A:CO327 3.5 14.5 1.0 CB A:HIS178 3.6 10.9 1.0 CE1 A:TYR99 3.7 17.0 1.0 OD2 A:ASP266 4.0 15.0 1.0 O A:HOH408 4.2 39.1 1.0 ND1 A:HIS206 4.2 14.0 1.0 NE2 A:HIS178 4.3 12.3 1.0 CE1 A:HIS23 4.3 11.6 1.0 CG A:HIS206 4.3 13.1 1.0 NZ A:KCX145 4.3 12.1 1.0 CD2 A:HIS178 4.4 12.5 1.0 NE2 A:HIS23 4.4 11.7 1.0 CA A:HIS178 4.4 11.3 1.0 O A:HOH536 4.5 21.9 1.0 O A:HOH610 4.5 43.0 1.0 O A:HOH631 4.7 52.0 1.0 CE2 A:TYR99 4.8 16.2 1.0 CG A:ASP266 4.8 14.5 1.0 CE A:KCX145 4.8 11.8 1.0 NE2 A:HIS230 4.8 18.8 1.0 OD1 A:ASP266 4.8 13.1 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Gkap Mutant G209D/R230H 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 Mutant G209D/R230H From Geobacillus Kaustophilus HTA426 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co327 b:15.6 occ:1.00 O B:HOH330 2.0 18.4 1.0 NE2 B:HIS25 2.1 13.2 1.0 OQ1 B:KCX145 2.1 13.8 1.0 NE2 B:HIS23 2.1 13.4 1.0 OD1 B:ASP266 2.2 13.9 1.0 CE1 B:HIS25 3.0 12.9 1.0 CX B:KCX145 3.0 13.9 1.0 CD2 B:HIS23 3.1 13.9 1.0 CG B:ASP266 3.1 15.9 1.0 CE1 B:HIS23 3.1 13.1 1.0 CD2 B:HIS25 3.1 13.3 1.0 OQ2 B:KCX145 3.3 13.3 1.0 OD2 B:ASP266 3.4 17.5 1.0 CO B:CO328 3.6 18.3 1.0 NZ B:KCX145 4.1 12.6 1.0 ND1 B:HIS25 4.1 13.1 1.0 ND1 B:HIS23 4.2 13.6 1.0 O B:HOH688 4.2 36.0 1.0 CG B:HIS25 4.2 13.5 1.0 CG B:HIS23 4.2 12.9 1.0 CE1 B:HIS206 4.4 16.2 1.0 OH B:TYR99 4.4 19.4 1.0 CB B:ASP266 4.5 15.2 1.0 CG B:PRO69 4.5 13.8 1.0 NE2 B:HIS206 4.6 15.5 1.0 O B:HOH331 4.8 18.3 1.0 CA B:ASP266 5.0 15.0 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of Gkap Mutant G209D/R230H 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 Mutant G209D/R230H From Geobacillus Kaustophilus HTA426 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co328 b:18.3 occ:1.00 O B:HOH330 2.0 18.4 1.0 OQ2 B:KCX145 2.1 13.3 1.0 NE2 B:HIS206 2.2 15.5 1.0 ND1 B:HIS178 2.2 14.7 1.0 OH B:TYR99 2.4 19.4 1.0 O B:HOH331 2.4 18.3 1.0 CE1 B:HIS178 3.1 14.4 1.0 CX B:KCX145 3.2 13.9 1.0 CE1 B:HIS206 3.2 16.2 1.0 CD2 B:HIS206 3.2 15.9 1.0 CG B:HIS178 3.2 14.3 1.0 CZ B:TYR99 3.5 18.6 1.0 OQ1 B:KCX145 3.5 13.8 1.0 CB B:HIS178 3.6 13.8 1.0 CO B:CO327 3.6 15.6 1.0 CE1 B:TYR99 3.7 18.2 1.0 OD2 B:ASP266 4.0 17.5 1.0 ND1 B:HIS206 4.2 16.6 1.0 NE2 B:HIS178 4.3 14.6 1.0 CG B:HIS206 4.3 16.0 1.0 NZ B:KCX145 4.3 12.6 1.0 CE1 B:HIS23 4.3 13.1 1.0 CD2 B:HIS178 4.4 14.9 1.0 NE2 B:HIS23 4.4 13.4 1.0 CA B:HIS178 4.4 14.1 1.0 O B:HOH461 4.5 25.1 1.0 NE2 B:HIS230 4.7 19.0 1.0 CE2 B:TYR99 4.7 18.0 1.0 CE B:KCX145 4.8 12.7 1.0 O B:HOH612 4.8 43.7 1.0 CG B:ASP266 4.8 15.9 1.0 OD1 B:ASP266 4.8 13.9 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.