Chlorine in PDB 3iii: 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus

The structure of 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus, PDB code: 3iii was solved by T.Osinski, M.Chruszcz, M.J.Domagalski, M.Cymborowski, I.A.Shumilin, T.Skarina, O.Onopriyenko, M.D.Zimmerman, A.Savchenko, A.Edwards, W.F.Anderson, W.Minor, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.14 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.498, 74.498, 210.681, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 18.3

The structure of 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus (pdb code 3iii). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus, PDB code: 3iii:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) 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 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl562 b:22.9 occ:1.00 NZ A:LYS468 3.1 19.5 1.0 O A:HOH729 3.2 13.4 1.0 NE1 A:TRP475 3.3 11.7 1.0 NE2 A:GLN252 3.3 7.6 1.0 NH2 A:ARG200 3.4 11.0 1.0 NH1 A:ARG200 3.7 10.3 1.0 CE2 A:PHE244 3.7 13.3 1.0 CZ A:ARG200 3.7 11.4 1.0 CE2 A:TRP475 4.1 9.0 1.0 CE A:LYS468 4.1 16.8 1.0 CZ2 A:TRP475 4.2 7.3 1.0 CD A:GLN252 4.2 9.6 1.0 OE1 A:GLN252 4.2 9.9 1.0 CD A:LYS468 4.2 13.7 1.0 O A:HOH782 4.2 26.1 1.0 CZ A:PHE244 4.3 11.8 1.0 CD1 A:TRP475 4.3 9.3 1.0 CD2 A:PHE244 4.5 12.2 1.0 NE A:ARG200 4.6 7.3 1.0 O A:HOH855 4.7 22.8 1.0 OD2 A:ASP465 5.0 8.8 1.0

Chlorine binding site 2 out of 4 in the 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) 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 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl563 b:32.0 occ:1.00 OH A:TYR397 3.1 14.7 1.0 N A:ASP400 3.1 10.8 1.0 O A:HOH921 3.2 23.3 1.0 CB A:ASP400 3.8 14.2 1.0 CA A:PHE399 3.9 9.6 1.0 CE2 A:TYR397 3.9 10.8 1.0 CZ A:TYR397 3.9 11.9 1.0 N A:LYS401 3.9 11.5 1.0 CA A:ASP400 3.9 12.7 1.0 CD1 A:PHE399 4.0 10.8 1.0 C A:PHE399 4.0 9.7 1.0 O A:HOH1106 4.2 30.9 1.0 CB A:PHE399 4.2 9.3 1.0 CG A:LYS401 4.3 15.8 1.0 C A:ASP400 4.3 11.7 1.0 CG A:PHE399 4.6 11.4 1.0 OG1 A:THR403 4.6 7.5 1.0 O A:LYS401 4.6 8.5 1.0 NZ A:LYS401 4.6 30.5 1.0 CG A:ASP400 4.7 22.1 1.0 OD2 A:ASP400 4.8 30.4 1.0 CE1 A:PHE399 4.9 10.4 1.0 CA A:LYS401 5.0 10.8 1.0 O A:THR398 5.0 7.3 1.0

Chlorine binding site 3 out of 4 in the 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) 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 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl564 b:32.3 occ:1.00 O A:HOH1100 3.0 26.1 1.0 N A:HIS332 3.1 9.6 1.0 O A:HOH866 3.4 24.0 1.0 CD2 A:HIS332 3.5 22.1 1.0 CA A:SER350 3.5 9.0 1.0 CA A:PRO331 3.6 11.0 1.0 O A:ALA349 3.8 11.2 1.0 C A:PRO331 3.8 10.4 1.0 CB A:SER350 3.9 10.4 1.0 CG A:HIS332 4.1 12.8 1.0 CB A:HIS332 4.1 11.1 1.0 CB A:PRO331 4.2 11.6 1.0 N A:SER350 4.2 9.9 1.0 CA A:HIS332 4.2 9.9 1.0 C A:ALA349 4.3 9.9 1.0 NE2 A:HIS332 4.5 21.0 1.0 C A:SER350 4.5 9.6 1.0 O A:SER350 4.6 8.1 1.0 O A:THR330 4.8 8.1 1.0 N A:PRO331 4.8 10.1 1.0

Chlorine binding site 4 out of 4 in the 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) 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 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl565 b:22.0 occ:1.00 OH A:TYR359 3.0 12.5 1.0 O A:HOH620 3.2 9.3 1.0 N A:ASN408 3.3 7.3 1.0 O A:HOH667 3.4 17.8 1.0 CE1 A:TYR359 3.6 10.6 1.0 CA A:GLY407 3.7 8.9 1.0 CB A:PRO353 3.7 9.9 1.0 CZ A:TYR359 3.8 13.8 1.0 C A:GLY407 4.0 7.8 1.0 CB A:ASN408 4.2 8.0 1.0 CG A:PRO353 4.2 11.3 1.0 ND2 A:ASN408 4.2 9.4 1.0 CA A:ASN408 4.2 7.3 1.0 O A:ASN408 4.4 7.2 1.0 CA A:PRO353 4.5 9.8 1.0 CZ A:PHE352 4.5 13.2 1.0 CB A:ALA472 4.5 6.7 1.0 O A:VAL406 4.6 6.4 1.0 CB A:PRO557 4.6 9.7 1.0 CG A:ASN408 4.7 10.1 1.0 C A:ASN408 4.8 7.2 1.0 N A:GLY407 4.9 7.2 1.0 CE1 A:PHE352 4.9 13.6 1.0 CD1 A:TYR359 4.9 11.1 1.0

T.Osinski, M.Chruszcz, M.J.Domagalski, M.Cymborowski, I.A.Shumilin, T.Skarina, O.Onopriyenko, M.D.Zimmerman, A.Savchenko, A.Edwards, W.F.Anderson, W.Minor, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.95 Angstrom Crystal Structure of Coce/Nond Family Hydrolase (SACOL2612) From Staphylococcus Aureus To Be Published.