Chlorine in PDB 7s2i: Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin

The structure of Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin, PDB code: 7s2i was solved by P.J.Stogios, T.Skarina, Y.Kim, M.Venkatesan, R.Di Leo, A.Savchenko, A.Joachimiak, K.J.F.Satchell, Center For Structural Biology Ofinfectious Diseases (Csbid), Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.14 / 2.32
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	186.568, 186.568, 186.568, 90, 90, 90
R / Rfree (%)	17.6 / 19.5

The binding sites of Chlorine atom in the Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin (pdb code 7s2i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin, PDB code: 7s2i:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin


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 Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:85.5 occ:1.00 N A:GLY251 3.2 55.3 1.0 N A:ASP252 3.3 57.8 1.0 C A:ALA249 3.3 51.9 1.0 O A:HOH488 3.3 72.9 1.0 N A:PRO250 3.4 53.1 1.0 CA A:ALA249 3.4 63.5 1.0 CD A:PRO250 3.5 49.5 1.0 O A:HOH479 3.6 80.1 1.0 OD1 A:ASP252 3.7 67.8 1.0 CA A:GLY251 3.7 54.2 1.0 CG A:ASP252 3.8 66.3 1.0 CB A:ALA249 3.8 41.6 1.0 O A:ALA249 3.9 47.2 1.0 C A:GLY251 4.0 61.6 1.0 C A:PRO250 4.0 57.2 1.0 CB A:ASP252 4.2 52.0 1.0 CA A:PRO250 4.3 59.3 1.0 OD2 A:ASP252 4.3 65.2 1.0 CA A:ASP252 4.3 50.8 1.0 CG A:PRO250 4.4 50.9 1.0 O A:HOH509 4.4 52.7 0.5 N A:ALA249 4.8 54.9 1.0 O A:HIS248 4.8 54.9 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin


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 Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:118.6 occ:1.00 O A:HOH451 3.1 95.7 1.0 OG A:SER73 3.6 89.2 1.0 O A:ASP70 4.1 85.9 1.0 O A:ALA71 4.4 80.5 1.0 C A:ALA71 4.8 78.1 1.0 CA A:ALA71 4.9 77.5 1.0 CB A:SER73 5.0 79.7 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin


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 Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:130.5 occ:1.00 NE2 B:GLN195 3.3 89.9 1.0 O B:HOH550 3.5 101.5 1.0 CD B:LYS198 3.5 90.4 1.0 NZ B:LYS198 3.8 114.3 1.0 OE1 B:GLN195 4.0 93.7 1.0 CD B:GLN195 4.1 95.8 1.0 CE B:LYS198 4.2 87.9 1.0 CA B:GLY241 4.3 75.8 1.0 CG B:LYS198 4.8 87.9 1.0 CB B:LYS198 5.0 76.8 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin


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 Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:100.1 occ:1.00 CD B:ARG161 3.4 103.5 1.0 CG B:ARG161 3.9 103.1 1.0 N B:ALA167 3.9 71.5 1.0 CA B:ALA166 4.1 73.9 1.0 NH1 B:ARG161 4.1 102.3 1.0 CB B:ALA166 4.4 68.6 1.0 NE B:ARG161 4.5 89.4 1.0 C B:ALA166 4.6 74.2 1.0 CB B:ALA167 4.6 67.8 1.0 CZ B:ARG161 4.8 100.3 1.0 CA B:ALA167 4.9 72.9 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin


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 Sulfonamide Resistance Enzyme SUL1 in Complex with 6-Hydroxymethylpterin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:117.0 occ:1.00 O A:GLU18 4.0 71.4 1.0 NH1 A:ARG20 4.4 91.5 1.0 CE1 B:PHE179 4.5 59.8 1.0 OE1 B:GLN129 4.5 122.4 1.0 CB B:PHE178 4.8 65.1 1.0 CD1 B:PHE179 4.8 64.1 1.0 CD A:ARG20 4.9 98.6 1.0 CZ B:PHE179 5.0 68.0 1.0

P.J.Stogios, P.J.Stogios, T.Skarina, Y.Kim, M.Venkatesan, R.Di Leo, A.Savchenko, A.Joachimiak, K.J.F.Satchell, Center For Structural Biology Ofinfectious Diseases (Csbid), Center For Structural Genomics Ofinfectious Diseases (Csgid). N/A N/A.