Chlorine in PDB 3e4d: Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens

The structure of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens, PDB code: 3e4d was solved by K.E.Van Straaten, C.F.Gonzalez, R.B.Valladares, X.Xu, A.V.Savchenko, D.A.R.Sanders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.01
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	68.433, 68.949, 95.648, 92.41, 99.79, 98.47
R / Rfree (%)	18.1 / 21.9

The structure of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens also contains other interesting chemical elements:

Magnesium

(Mg)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens (pdb code 3e4d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens, PDB code: 3e4d:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl279 b:22.5 occ:1.00 OG A:SER147 3.0 22.0 1.0 O A:HOH307 3.1 18.6 1.0 N A:MSE148 3.2 18.7 1.0 CB A:SER147 3.2 19.9 1.0 N A:LEU52 3.2 18.9 1.0 CB A:MSE148 3.5 19.0 1.0 CG A:LEU52 3.5 18.4 1.0 CB A:LEU52 3.6 19.0 1.0 CD1 A:LEU52 3.6 18.0 1.0 CA A:MSE148 3.9 18.9 1.0 CH2 A:TRP181 3.9 21.3 1.0 CA A:GLY51 4.0 17.9 1.0 CA A:LEU52 4.0 19.1 1.0 CZ3 A:TRP181 4.1 21.0 1.0 CD1 A:ILE173 4.1 18.3 1.0 C A:SER147 4.1 19.4 1.0 C A:GLY51 4.1 18.1 1.0 O A:HOH354 4.3 19.6 1.0 CA A:SER147 4.3 20.1 1.0 CZ2 A:TRP181 4.4 21.1 1.0 CE3 A:TRP181 4.7 20.4 1.0 NE2 A:HIS256 4.7 21.7 1.0 CG A:MSE148 4.8 18.9 1.0 CD2 A:LEU52 4.9 16.5 1.0 CE2 A:TRP181 4.9 21.5 1.0 O A:HIS146 4.9 19.0 1.0

Chlorine binding site 2 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl280 b:30.6 occ:1.00 O A:HOH378 3.2 28.0 1.0 N A:SER224 3.3 24.2 1.0 OG A:SER224 3.3 27.2 1.0 N A:HIS256 3.5 20.0 1.0 CB A:HIS256 3.6 19.7 1.0 CB A:ASP255 3.6 20.3 1.0 CB A:SER224 3.8 25.0 1.0 CA A:ASP223 4.0 23.6 1.0 O A:ALA222 4.1 23.8 1.0 C A:ASP223 4.1 23.6 1.0 CA A:SER224 4.1 24.6 1.0 CA A:HIS256 4.2 20.1 1.0 OD1 A:ASP223 4.2 22.9 1.0 CA A:ASP255 4.4 21.1 1.0 C A:ASP255 4.4 20.5 1.0 CG A:ASP255 4.5 21.4 1.0 CG A:ASP223 4.7 23.7 1.0 CE1 A:PHE225 4.8 25.4 1.0 CD1 A:PHE225 4.8 25.2 1.0 CG A:HIS256 4.8 20.2 1.0 C A:ALA222 4.9 23.8 1.0 N A:ASP223 4.9 23.6 1.0 CB A:ASP223 5.0 23.3 1.0

Chlorine binding site 3 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl279 b:25.1 occ:1.00 OG B:SER147 3.0 24.2 1.0 O B:HOH304 3.0 21.6 1.0 N B:MSE148 3.2 20.6 1.0 N B:LEU52 3.2 16.1 1.0 CB B:SER147 3.3 21.5 1.0 CG B:LEU52 3.4 17.0 1.0 CB B:MSE148 3.4 20.5 1.0 CD1 B:LEU52 3.6 18.1 1.0 CB B:LEU52 3.6 17.3 1.0 CA B:MSE148 3.8 19.9 1.0 CA B:LEU52 4.0 17.2 1.0 CA B:GLY51 4.0 16.1 1.0 CD1 B:ILE173 4.1 20.9 1.0 C B:SER147 4.1 21.2 1.0 C B:GLY51 4.1 16.0 1.0 CH2 B:TRP181 4.2 25.5 1.0 O B:HOH316 4.3 17.3 1.0 CZ3 B:TRP181 4.3 25.0 1.0 CA B:SER147 4.4 21.9 1.0 CZ2 B:TRP181 4.6 25.9 1.0 CG B:MSE148 4.8 18.7 1.0 CD2 B:LEU52 4.8 15.5 1.0 CE3 B:TRP181 4.8 24.9 1.0 NE2 B:HIS256 4.9 21.6 1.0 O B:HIS146 4.9 20.7 1.0 CG1 B:ILE173 5.0 20.8 1.0

Chlorine binding site 4 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl280 b:29.4 occ:1.00 O B:HOH281 2.8 32.8 1.0 N B:SER224 3.2 24.4 1.0 OG B:SER224 3.3 27.8 1.0 CB B:HIS256 3.5 19.9 1.0 N B:HIS256 3.5 20.3 1.0 CB B:ASP255 3.6 20.8 1.0 CA B:ASP223 3.8 23.2 1.0 CB B:SER224 3.9 25.8 1.0 C B:ASP223 4.0 23.9 1.0 CA B:HIS256 4.1 20.3 1.0 OD1 B:ASP223 4.1 22.0 1.0 CA B:SER224 4.1 25.2 1.0 O B:ALA222 4.2 23.4 1.0 CA B:ASP255 4.3 20.9 1.0 C B:ASP255 4.4 20.4 1.0 CG B:ASP255 4.5 21.0 1.0 CG B:ASP223 4.5 22.6 1.0 CG B:HIS256 4.7 20.6 1.0 CB B:ASP223 4.8 23.0 1.0 CE1 B:PHE225 4.8 23.9 1.0 N B:ASP223 4.8 23.4 1.0 CD1 B:PHE225 4.8 23.2 1.0 C B:ALA222 4.9 23.6 1.0 O B:HOH403 5.0 32.5 1.0

Chlorine binding site 5 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl279 b:23.5 occ:1.00 OG C:SER147 2.9 23.2 1.0 N C:MSE148 3.1 21.2 1.0 O C:HOH315 3.2 25.2 1.0 N C:LEU52 3.2 20.6 1.0 CB C:SER147 3.2 20.7 1.0 CB C:MSE148 3.3 20.9 1.0 CG C:LEU52 3.5 19.4 1.0 CB C:LEU52 3.6 20.3 1.0 CD1 C:LEU52 3.7 19.8 1.0 CA C:MSE148 3.8 21.1 1.0 CA C:GLY51 3.9 20.1 1.0 CA C:LEU52 4.0 20.3 1.0 C C:GLY51 4.0 20.2 1.0 CH2 C:TRP181 4.1 26.1 1.0 C C:SER147 4.1 21.1 1.0 CD1 C:ILE173 4.2 19.9 1.0 CZ3 C:TRP181 4.2 25.6 1.0 CA C:SER147 4.3 21.1 1.0 CZ2 C:TRP181 4.3 27.0 1.0 O C:HOH331 4.4 24.7 1.0 CE3 C:TRP181 4.7 25.8 1.0 CG C:MSE148 4.7 22.7 1.0 CE2 C:TRP181 4.8 25.8 1.0 NE2 C:HIS256 4.8 20.8 1.0 CD2 C:LEU52 4.9 18.9 1.0 O C:HIS146 4.9 19.6 1.0 CD2 C:TRP181 5.0 26.1 1.0

Chlorine binding site 6 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl280 b:31.1 occ:1.00 O C:HOH282 2.9 36.2 1.0 N C:SER224 3.3 24.6 1.0 N C:HIS256 3.4 21.6 1.0 OG C:SER224 3.6 25.6 1.0 CB C:HIS256 3.6 20.9 1.0 CB C:ASP255 3.6 22.7 1.0 CB C:SER224 3.8 25.7 1.0 CA C:ASP223 4.0 23.2 1.0 CA C:SER224 4.1 25.6 1.0 C C:ASP223 4.1 23.9 1.0 CA C:HIS256 4.1 21.3 1.0 O C:ALA222 4.2 24.2 1.0 CA C:ASP255 4.3 22.7 1.0 C C:ASP255 4.3 22.0 1.0 OD1 C:ASP223 4.4 22.4 1.0 CG C:ASP255 4.6 24.0 1.0 O C:HOH281 4.6 23.3 1.0 CG C:ASP223 4.7 22.5 1.0 CE1 C:PHE225 4.8 28.8 1.0 CG C:HIS256 4.9 21.1 1.0 N C:ASP223 4.9 23.4 1.0 CD1 C:PHE225 4.9 28.7 1.0 CB C:ASP223 4.9 22.6 1.0 C C:ALA222 5.0 23.7 1.0

Chlorine binding site 7 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl279 b:23.7 occ:1.00 OG E:SER147 3.1 22.5 1.0 O E:HOH316 3.1 21.8 1.0 N E:LEU52 3.1 21.0 1.0 N E:MSE148 3.2 18.8 1.0 CB E:SER147 3.3 19.9 1.0 CB E:MSE148 3.5 19.2 1.0 CG E:LEU52 3.5 21.1 1.0 CB E:LEU52 3.6 21.4 1.0 CD1 E:LEU52 3.7 21.7 1.0 CA E:GLY51 3.9 19.8 1.0 CA E:MSE148 3.9 19.2 1.0 CA E:LEU52 3.9 21.4 1.0 C E:GLY51 4.0 20.5 1.0 O E:HOH346 4.2 20.6 1.0 CH2 E:TRP181 4.2 27.5 1.0 C E:SER147 4.2 19.6 1.0 CZ3 E:TRP181 4.2 27.8 1.0 CD1 E:ILE173 4.2 19.1 1.0 CA E:SER147 4.3 19.7 1.0 CZ2 E:TRP181 4.7 27.2 1.0 CE3 E:TRP181 4.8 28.1 1.0 CG E:MSE148 4.8 19.0 1.0 NE2 E:HIS256 4.8 20.9 1.0 O E:HIS146 4.9 17.8 1.0 CD2 E:LEU52 4.9 18.6 1.0

Chlorine binding site 8 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl280 b:28.5 occ:1.00 N E:SER224 3.2 25.0 1.0 OG E:SER224 3.4 28.9 1.0 N E:HIS256 3.6 21.0 1.0 CB E:HIS256 3.6 20.8 1.0 CB E:ASP255 3.7 22.4 1.0 CB E:SER224 3.8 26.3 1.0 CA E:ASP223 4.0 23.8 1.0 C E:ASP223 4.1 24.1 1.0 CA E:SER224 4.1 26.0 1.0 O E:ALA222 4.1 22.8 1.0 CA E:HIS256 4.2 20.9 1.0 OD1 E:ASP223 4.3 20.9 1.0 CA E:ASP255 4.4 22.0 1.0 C E:ASP255 4.5 21.5 1.0 CG E:ASP255 4.7 24.4 1.0 CG E:ASP223 4.8 23.8 1.0 CG E:HIS256 4.8 20.9 1.0 N E:ASP223 4.9 23.3 1.0 C E:ALA222 4.9 23.1 1.0 CE1 E:PHE225 4.9 26.7 1.0 CB E:ASP223 5.0 22.9 1.0

Chlorine binding site 9 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl279 b:35.2 occ:1.00 O D:HOH354 2.9 38.4 1.0 OG D:SER147 3.0 30.7 1.0 N D:LEU52 3.3 26.6 1.0 CB D:SER147 3.3 29.0 1.0 N D:MSE148 3.3 28.9 1.0 CD1 D:LEU52 3.4 30.1 1.0 CG D:LEU52 3.5 28.4 1.0 CB D:MSE148 3.5 29.1 1.0 CB D:LEU52 3.6 27.3 1.0 CA D:MSE148 4.0 29.0 1.0 CA D:LEU52 4.0 27.0 1.0 CZ3 D:TRP181 4.0 39.3 1.0 CH2 D:TRP181 4.1 39.1 1.0 CA D:GLY51 4.1 26.0 1.0 C D:GLY51 4.2 26.2 1.0 CD1 D:ILE173 4.2 30.4 1.0 C D:SER147 4.2 29.0 1.0 O D:HOH311 4.3 30.1 1.0 CA D:SER147 4.4 29.0 1.0 CE3 D:TRP181 4.6 39.1 1.0 CZ2 D:TRP181 4.6 38.7 1.0 NE2 D:HIS256 4.7 28.3 1.0 CG D:MSE148 4.9 28.1 1.0 CD2 D:LEU52 4.9 30.0 1.0 O D:HIS146 5.0 27.6 1.0

Chlorine binding site 10 out of 12 in the Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structural and Kinetic Study of An S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl280 b:39.1 occ:1.00 O D:HOH355 3.1 33.0 1.0 N D:SER224 3.2 33.9 1.0 OG D:SER224 3.4 35.9 1.0 N D:HIS256 3.4 25.9 1.0 CB D:HIS256 3.5 25.8 1.0 CB D:ASP255 3.7 26.2 1.0 CA D:ASP223 3.8 32.7 1.0 CB D:SER224 3.8 35.0 1.0 C D:ASP223 4.0 33.1 1.0 O D:ALA222 4.0 31.3 1.0 CA D:SER224 4.1 34.7 1.0 OD1 D:ASP223 4.1 31.3 1.0 CA D:HIS256 4.1 25.7 1.0 CA D:ASP255 4.3 26.3 1.0 C D:ASP255 4.3 26.0 1.0 CG D:ASP223 4.6 31.7 1.0 CE1 D:PHE225 4.7 36.8 1.0 CG D:ASP255 4.7 27.2 1.0 N D:ASP223 4.7 32.1 1.0 CD1 D:PHE225 4.8 35.7 1.0 C D:ALA222 4.8 31.6 1.0 CB D:ASP223 4.8 32.4 1.0 CG D:HIS256 4.8 26.2 1.0

K.E.Van Straaten, C.F.Gonzalez, R.B.Valladares, X.Xu, A.V.Savchenko, D.A.Sanders. The Structure of A Putative S-Formylglutathione Hydrolase From Agrobacterium Tumefaciens Protein Sci. V. 18 2196 2009.
ISSN: ISSN 0961-8368
PubMed: 19653299
DOI: 10.1002/PRO.216