Chlorine in PDB 3ib3: Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus

The structure of Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus, PDB code: 3ib3 was solved by M.J.Domagalski, M.Chruszcz, T.Osinski, T.Skarina, O.Onopriyenko, M.Cymborowski, I.A.Shumilin, A.Savchenko, A.Edwards, W.Anderson, W.Minor, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.221, 160.583, 216.827, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 25

The structure of Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus (pdb code 3ib3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus, PDB code: 3ib3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl561 b:20.3 occ:1.00 O A:HOH737 3.0 7.0 1.0 O A:HOH867 3.1 14.8 1.0 OH A:TYR359 3.1 12.2 1.0 N A:ASN408 3.2 11.0 1.0 CA A:GLY407 3.4 9.9 1.0 CB A:PRO353 3.8 10.7 1.0 CE1 A:TYR359 3.8 9.8 1.0 C A:GLY407 3.8 10.6 1.0 CZ A:TYR359 3.9 12.6 1.0 CB A:ASN408 4.2 12.6 1.0 CA A:ASN408 4.2 11.6 1.0 CZ A:PHE352 4.2 8.0 1.0 ND2 A:ASN408 4.3 10.3 1.0 O A:ASN408 4.4 11.6 1.0 O A:VAL406 4.4 8.4 1.0 CG A:PRO353 4.4 11.7 1.0 CB A:ALA472 4.5 9.0 1.0 CB A:PRO557 4.5 7.2 1.0 CA A:PRO353 4.5 11.2 1.0 N A:GLY407 4.6 9.3 1.0 CE1 A:PHE352 4.6 7.8 1.0 CG A:ASN408 4.8 13.9 1.0 C A:ASN408 4.8 11.5 1.0 CE2 A:PHE352 4.9 6.0 1.0 C A:VAL406 5.0 8.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl562 b:19.7 occ:1.00 NE1 A:TRP475 3.2 10.9 1.0 O A:HOH896 3.3 14.4 1.0 NE2 A:GLN252 3.3 7.3 1.0 NH2 A:ARG200 3.4 13.4 1.0 NZ A:LYS468 3.5 19.1 1.0 CZ A:ARG200 3.7 14.1 1.0 NH1 A:ARG200 3.8 13.3 1.0 CE2 A:PHE244 3.8 8.3 1.0 CE2 A:TRP475 4.0 8.0 1.0 O A:HOH732 4.1 12.7 1.0 CD1 A:TRP475 4.1 7.6 1.0 OE1 A:GLN252 4.1 7.4 1.0 CD A:GLN252 4.2 9.4 1.0 CZ A:PHE244 4.2 10.0 1.0 CZ2 A:TRP475 4.3 10.2 1.0 CE A:LYS468 4.3 18.4 1.0 CD A:LYS468 4.4 18.3 1.0 NE A:ARG200 4.6 10.7 1.0 CD2 A:PHE244 4.6 7.8 1.0 O A:HOH829 4.8 20.9 1.0 OD2 A:ASP465 4.8 17.7 1.0 O A:HOH760 5.0 31.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl561 b:23.5 occ:1.00 O B:HOH599 3.0 16.2 1.0 OH B:TYR359 3.1 6.3 1.0 N B:ASN408 3.1 8.5 1.0 CA B:GLY407 3.5 8.1 1.0 CE1 B:TYR359 3.8 7.9 1.0 C B:GLY407 3.8 8.1 1.0 CB B:PRO353 3.8 10.1 1.0 CZ B:TYR359 3.9 8.4 1.0 CB B:ASN408 4.0 8.9 1.0 CA B:ASN408 4.1 8.8 1.0 CG B:PRO353 4.1 10.5 1.0 O B:ASN408 4.2 9.5 1.0 ND2 B:ASN408 4.3 2.1 1.0 O B:HOH878 4.3 20.3 1.0 CA B:PRO353 4.4 10.4 1.0 CZ B:PHE352 4.4 12.5 1.0 O B:VAL406 4.5 7.8 1.0 CB B:ALA472 4.5 12.2 1.0 CB B:PRO557 4.6 9.4 1.0 C B:ASN408 4.6 9.5 1.0 CE1 B:PHE352 4.7 11.3 1.0 N B:GLY407 4.7 7.6 1.0 CG B:ASN408 4.7 8.1 1.0 CE2 B:PHE352 4.9 13.5 1.0 O B:GLY407 5.0 9.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl562 b:16.1 occ:1.00 O B:HOH832 3.1 12.4 1.0 NH2 B:ARG200 3.2 14.3 1.0 NE2 B:GLN252 3.3 8.4 1.0 NE1 B:TRP475 3.4 10.1 1.0 NH1 B:ARG200 3.6 10.9 1.0 CZ B:ARG200 3.7 8.7 1.0 CE2 B:PHE244 3.7 9.3 1.0 NZ B:LYS468 3.8 19.8 1.0 CE B:LYS468 4.1 17.9 1.0 CD B:LYS468 4.1 18.2 1.0 CE2 B:TRP475 4.1 9.5 1.0 CZ2 B:TRP475 4.1 8.6 1.0 OE1 B:GLN252 4.2 9.4 1.0 CD B:GLN252 4.2 9.0 1.0 CZ B:PHE244 4.3 10.2 1.0 CD2 B:PHE244 4.4 7.3 1.0 O B:HOH678 4.5 24.5 1.0 CD1 B:TRP475 4.5 10.8 1.0 NE B:ARG200 4.7 5.1 1.0 OD2 B:ASP465 4.9 17.5 1.0

M.J.Domagalski, M.Chruszcz, T.Osinski, T.Skarina, O.Onopriyenko, M.Cymborowski, I.A.Shumilin, A.Savchenko, A.Edwards, W.Anderson, W.Minor, Center For Structural Genomics Of Infectiousdiseases (Csgid). Crystal Structure of SACOL2612 - Coce/Nond Family Hydrolase From Staphylococcus Aureus To Be Published.