Chlorine in PDB 3c7m: Crystal Structure of Reduced Dsbl

The structure of Crystal Structure of Reduced Dsbl, PDB code: 3c7m was solved by C.U.Stirnimann, J.P.A.Grimshaw, R.Glockshuber, M.G.Grutter, G.Capitani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.74 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.945, 66.634, 77.891, 90.00, 107.02, 90.00
R / Rfree (%)	16.4 / 18.9

The structure of Crystal Structure of Reduced Dsbl also contains other interesting chemical elements:

Cadmium

(Cd)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Reduced Dsbl (pdb code 3c7m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of Reduced Dsbl, PDB code: 3c7m:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the Crystal Structure of Reduced Dsbl


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 Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl200 b:12.1 occ:0.94 CD A:CD197 2.6 10.9 0.9 O A:HOH456 3.1 23.3 1.0 O A:HOH273 3.1 17.9 1.0 O A:HOH478 3.2 37.6 1.0 OE2 A:GLU109 3.5 9.6 1.0 OE1 A:GLU109 3.7 11.8 1.0 CD A:GLU109 3.8 9.6 1.0 CA A:TRP111 3.9 8.4 1.0 CD1 A:TRP111 3.9 8.6 1.0 CB A:ALA119 4.1 10.3 1.0 O A:HOH477 4.3 37.2 1.0 CB A:TRP111 4.4 8.8 1.0 CG A:TRP111 4.4 8.5 1.0 N A:TRP111 4.6 8.6 1.0 C A:TRP111 4.8 9.2 1.0 NE1 A:TRP111 4.8 8.7 1.0 CG A:GLU109 4.9 9.9 1.0 OD2 A:ASP116 4.9 12.5 1.0 O A:HOH244 4.9 14.1 1.0

Chlorine binding site 2 out of 11 in the Crystal Structure of Reduced Dsbl


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 Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:11.9 occ:0.95 CD A:CD198 2.5 11.2 0.9 OD1 A:ASP183 3.4 11.1 1.0 OD2 A:ASP187 3.8 11.9 1.0 O A:HOH275 4.2 27.0 1.0 CG A:ASP183 4.2 12.1 1.0 OD2 A:ASP183 4.4 13.3 1.0 CG A:ASP187 4.8 10.8 1.0 O A:HOH404 4.8 32.4 1.0 O A:HOH377 4.8 30.9 1.0 OD1 A:ASP187 4.9 11.7 1.0

Chlorine binding site 3 out of 11 in the Crystal Structure of Reduced Dsbl


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 Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:10.0 occ:0.50 CL A:CL202 0.0 10.0 0.5 CL A:CL202 1.1 14.4 0.5 CD A:CD196 2.7 11.3 0.9 OE1 A:GLU63 3.0 9.4 0.5 O B:HOH406 3.1 34.8 1.0 NZ B:LYS159 3.2 19.9 1.0 O A:HOH223 3.3 12.8 1.0 O A:HOH445 3.3 28.8 1.0 OE1 A:GLU63 3.4 9.2 0.5 O A:HOH342 3.5 25.4 1.0 O A:HOH543 3.5 25.6 1.0 NE A:ARG110 3.7 12.3 1.0 OD1 B:ASP156 3.7 12.3 1.0 CD A:GLU63 3.7 10.2 0.5 CD A:ARG110 3.7 10.2 1.0 OE2 A:GLU63 3.8 9.7 0.5 CE1 B:TYR155 3.8 11.2 1.0 CD A:GLU63 4.0 9.8 0.5 CE B:LYS159 4.0 19.3 1.0 OD1 A:ASP113 4.3 13.2 1.0 OE2 A:GLU63 4.3 10.2 0.5 CD1 B:TYR155 4.3 10.9 1.0 CG A:ARG110 4.5 9.5 1.0 O A:HOH360 4.6 33.5 1.0 CG B:ASP156 4.7 10.9 1.0 OH A:TYR104 4.8 12.5 1.0 OD2 B:ASP156 4.8 12.4 1.0 CG A:GLU63 4.8 9.7 0.5 CG A:GLU63 4.9 9.6 0.5 CZ A:ARG110 4.9 12.6 1.0 O A:HOH219 4.9 11.6 1.0 CZ B:TYR155 4.9 12.4 1.0

Chlorine binding site 4 out of 11 in the Crystal Structure of Reduced Dsbl


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 Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:14.4 occ:0.50 CL A:CL202 0.0 14.4 0.5 CL A:CL202 1.1 10.0 0.5 CD A:CD196 2.3 11.3 0.9 O A:HOH543 2.5 25.6 1.0 NZ B:LYS159 3.2 19.9 1.0 O A:HOH445 3.3 28.8 1.0 NE A:ARG110 3.4 12.3 1.0 CD A:ARG110 3.4 10.2 1.0 OE1 A:GLU63 3.5 9.4 0.5 O A:HOH360 3.5 33.5 1.0 OD1 A:ASP113 3.6 13.2 1.0 OD1 B:ASP156 3.6 12.3 1.0 OE1 A:GLU63 3.7 9.2 0.5 O B:HOH406 3.8 34.8 1.0 CG A:ARG110 3.9 9.5 1.0 OE2 A:GLU63 4.1 9.7 0.5 CD A:GLU63 4.2 10.2 0.5 O A:HOH510 4.2 4.7 0.5 O A:HOH223 4.3 12.8 1.0 CE B:LYS159 4.3 19.3 1.0 CD A:GLU63 4.4 9.8 0.5 OD2 B:ASP156 4.4 12.4 1.0 CG B:ASP156 4.4 10.9 1.0 O A:HOH342 4.5 25.4 1.0 OE2 A:GLU63 4.5 10.2 0.5 CB A:ARG110 4.6 9.3 1.0 CZ A:ARG110 4.7 12.6 1.0 O B:HOH545 4.8 41.5 1.0 CG A:ASP113 4.8 12.7 1.0 CE1 B:TYR155 4.8 11.2 1.0 O A:HOH510 5.0 5.5 0.5

Chlorine binding site 5 out of 11 in the Crystal Structure of Reduced Dsbl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:17.2 occ:0.90 CD B:CD196 2.4 11.1 0.9 O B:HOH257 3.0 25.1 1.0 NZ A:LYS159 3.1 19.3 1.0 OE1 B:GLU63 3.2 11.0 1.0 O A:HOH545 3.3 35.8 1.0 O A:HOH523 3.3 39.2 1.0 O B:HOH294 3.5 13.2 1.0 NE B:ARG110 3.6 12.0 1.0 OD1 A:ASP156 3.6 11.1 1.0 O B:HOH411 3.6 27.7 1.0 CD B:ARG110 3.6 10.0 1.0 CD B:GLU63 3.9 10.8 1.0 O B:HOH353 4.0 23.3 1.0 OD1 B:ASP113 4.0 12.7 1.0 OE2 B:GLU63 4.0 11.2 1.0 CE A:LYS159 4.1 19.4 1.0 CE1 A:TYR155 4.1 11.8 1.0 CG B:ARG110 4.3 9.3 1.0 CD1 A:TYR155 4.5 10.8 1.0 CG A:ASP156 4.5 9.4 1.0 O A:HOH215 4.6 40.1 1.0 OD2 A:ASP156 4.7 11.7 1.0 CZ B:ARG110 4.8 12.0 1.0 O B:HOH265 4.9 10.6 1.0 CB B:ARG110 5.0 8.9 1.0 CG B:GLU63 5.0 9.4 1.0

Chlorine binding site 6 out of 11 in the Crystal Structure of Reduced Dsbl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:14.6 occ:0.53 CD A:CD199 2.5 14.8 0.5 NZ A:LYS108 3.3 10.7 0.5 NH2 A:ARG110 3.3 15.2 1.0 O A:TYR104 3.5 10.8 1.0 CD A:LYS108 3.5 15.8 0.5 CD A:LYS108 3.7 12.1 0.5 CE A:LYS108 3.8 17.2 0.5 CL A:CL205 3.8 19.4 0.5 CA A:HIS105 3.9 11.6 1.0 CE1 A:TYR104 4.0 10.8 1.0 O A:HIS105 4.0 13.4 1.0 CE A:LYS108 4.1 12.1 0.5 ND1 A:HIS105 4.1 11.4 1.0 O A:HOH512 4.1 27.6 1.0 CD1 A:TYR104 4.2 9.6 1.0 CZ A:ARG110 4.3 12.6 1.0 C A:TYR104 4.4 10.3 1.0 C A:HIS105 4.4 12.5 1.0 NH1 A:ARG110 4.5 10.7 1.0 N A:HIS105 4.6 10.9 1.0 CB A:HIS105 4.6 11.8 1.0 O A:HOH535 4.7 37.5 1.0 CG A:HIS105 4.7 11.5 1.0 NZ A:LYS108 4.7 18.4 0.5 CZ A:TYR104 4.9 10.0 1.0 CE1 A:HIS105 4.9 12.4 1.0 CG A:LYS108 5.0 13.8 0.5

Chlorine binding site 7 out of 11 in the Crystal Structure of Reduced Dsbl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:19.4 occ:0.53 CD A:CD199 2.5 14.8 0.5 O A:HOH535 2.8 37.5 1.0 CD A:PRO30 3.5 15.4 1.0 CG A:PRO30 3.5 15.4 1.0 ND1 A:HIS105 3.7 11.4 1.0 CE1 A:HIS105 3.7 12.4 1.0 CB A:PRO30 3.8 15.4 1.0 CL A:CL204 3.8 14.6 0.5 O A:HOH514 4.0 37.8 1.0 O A:ALA28 4.1 13.3 1.0 CE1 A:TYR104 4.1 10.8 1.0 O A:HOH537 4.2 48.7 1.0 O A:HOH512 4.3 27.6 1.0 N A:PRO30 4.3 14.9 1.0 CA A:PRO30 4.6 15.2 1.0 OH A:TYR104 4.8 12.5 1.0 CD1 A:TYR104 5.0 9.6 1.0 CZ A:TYR104 5.0 10.0 1.0

Chlorine binding site 8 out of 11 in the Crystal Structure of Reduced Dsbl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:22.2 occ:0.90 NZ A:LYS97 3.0 19.4 1.0 NZ A:LYS23 3.0 19.0 1.0 CE A:LYS23 3.2 16.9 1.0 CZ A:PHE53 3.5 14.2 1.0 CZ A:PHE93 3.5 8.9 1.0 CE2 A:PHE93 3.6 9.1 1.0 CD A:LYS97 3.7 13.3 1.0 CG A:PRO55 3.7 9.2 1.0 CE2 A:PHE53 3.7 14.6 1.0 CE A:LYS97 3.8 16.1 1.0 CB A:PRO55 3.8 9.2 1.0 OD1 A:ASP36 4.2 19.3 0.2 OD2 A:ASP36 4.4 18.0 0.8 CE1 A:PHE25 4.4 11.0 1.0 CD A:LYS23 4.5 15.4 1.0 CZ A:PHE25 4.5 10.1 1.0 CD1 A:PHE25 4.6 9.6 1.0 CE1 A:PHE53 4.7 13.2 1.0 OD1 A:ASP36 4.7 17.9 0.8 CA A:PRO55 4.8 8.8 1.0 CE1 A:PHE93 4.8 10.3 1.0 CG A:ASP36 4.9 18.4 0.8 CE2 A:PHE25 4.9 9.8 1.0 O A:HOH345 4.9 23.6 1.0 CD2 A:PHE93 4.9 9.7 1.0 CG A:ASP36 5.0 19.1 0.2 CG2 A:THR40 5.0 12.7 1.0

Chlorine binding site 9 out of 11 in the Crystal Structure of Reduced Dsbl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl198 b:13.2 occ:0.51 CD B:CD197 2.5 14.7 0.5 NH2 B:ARG110 3.2 14.2 1.0 NZ B:LYS108 3.3 18.5 1.0 O B:TYR104 3.5 10.9 1.0 CD B:LYS108 3.7 15.1 1.0 CL B:CL199 3.8 21.5 0.5 CA B:HIS105 3.8 11.8 1.0 CE1 B:TYR104 4.0 11.5 1.0 O B:HIS105 4.0 12.9 1.0 O B:HOH570 4.0 29.0 1.0 ND1 B:HIS105 4.1 12.9 1.0 CE B:LYS108 4.1 16.4 1.0 CD1 B:TYR104 4.2 10.5 1.0 CZ B:ARG110 4.3 12.0 1.0 C B:TYR104 4.3 10.3 1.0 C B:HIS105 4.4 12.4 1.0 NH1 B:ARG110 4.4 10.3 1.0 N B:HIS105 4.6 10.9 1.0 CB B:HIS105 4.6 12.1 1.0 CG B:HIS105 4.7 12.4 1.0 CZ B:TYR104 4.8 10.9 1.0 CE1 B:HIS105 4.9 13.9 1.0

Chlorine binding site 10 out of 11 in the Crystal Structure of Reduced Dsbl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Reduced Dsbl within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl199 b:21.5 occ:0.51 CD B:CD197 2.5 14.7 0.5 CD B:PRO30 3.5 14.5 1.0 CG B:PRO30 3.6 14.5 1.0 ND1 B:HIS105 3.7 12.9 1.0 CL B:CL198 3.8 13.2 0.5 CE1 B:HIS105 3.8 13.9 1.0 CB B:PRO30 3.9 14.7 1.0 O B:HOH564 4.1 45.2 1.0 CE1 B:TYR104 4.1 11.5 1.0 O B:ALA28 4.1 12.7 1.0 O B:HOH570 4.3 29.0 1.0 N B:PRO30 4.3 14.0 1.0 CA B:PRO30 4.6 14.3 1.0 OH B:TYR104 4.7 13.2 1.0 CZ B:TYR104 4.9 10.9 1.0 CD1 B:TYR104 4.9 10.5 1.0

J.P.Grimshaw, C.U.Stirnimann, M.S.Brozzo, G.Malojcic, M.G.Grutter, G.Capitani, R.Glockshuber. Dsbl and Dsbi Form A Specific Dithiol Oxidase System For Periplasmic Arylsulfate Sulfotransferase in Uropathogenic Escherichia Coli. J.Mol.Biol. V. 380 667 2008.
ISSN: ISSN 0022-2836
PubMed: 18565543
DOI: 10.1016/J.JMB.2008.05.031