Chlorine in PDB 8scd: Crystal Structure of Sulfonamide Resistance Enzyme SUL3 in Complex with Reaction Intermediate

The structure of Crystal Structure of Sulfonamide Resistance Enzyme SUL3 in Complex with Reaction Intermediate, PDB code: 8scd was solved by P.J.Stogios, M.Venkatesan, K.Michalska, N.Mesa, 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)	47.16 / 2.06
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	123.831, 123.831, 72.797, 90, 90, 120
R / Rfree (%)	16.4 / 18.8

The structure of Crystal Structure of Sulfonamide Resistance Enzyme SUL3 in Complex with Reaction Intermediate also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Sulfonamide Resistance Enzyme SUL3 in Complex with Reaction Intermediate (pdb code 8scd). 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 SUL3 in Complex with Reaction Intermediate, PDB code: 8scd:
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 SUL3 in Complex with Reaction Intermediate


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 SUL3 in Complex with Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:80.7 occ:1.00 N A:GLU138 3.1 32.5 1.0 O A:HOH527 3.3 71.7 1.0 CA A:VAL137 3.6 40.5 1.0 CG2 A:VAL137 3.7 43.9 1.0 C A:VAL137 3.8 34.1 1.0 CB A:GLU138 3.9 33.3 1.0 O A:HOH478 4.0 49.7 1.0 CA A:GLU138 4.1 34.7 1.0 CB A:VAL137 4.2 43.1 1.0 O A:GLU138 4.4 41.5 1.0 O A:LYS136 4.6 38.5 1.0 C A:GLU138 4.8 43.8 1.0 N A:VAL137 4.8 34.1 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL3 in Complex with Reaction Intermediate


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 SUL3 in Complex with Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:72.8 occ:1.00 O A:HOH569 2.6 54.1 1.0 O A:HOH680 3.0 74.1 1.0 O A:HOH414 3.0 37.2 1.0 OH A:TYR21 3.2 48.7 1.0 O A:HOH562 3.6 59.7 1.0 CD1 A:LEU20 3.8 63.7 1.0 CB A:ASP17 3.8 39.3 1.0 NH1 A:ARG210 4.0 28.8 1.0 CZ A:TYR21 4.2 59.0 1.0 CE2 A:TYR21 4.2 52.3 1.0 O A:HOH611 4.3 52.7 1.0 NH2 A:ARG210 4.3 34.8 1.0 OD2 A:ASP17 4.4 35.9 1.0 CZ A:ARG210 4.6 39.1 1.0 CG A:ASP17 4.6 44.5 1.0 O A:HOH673 4.7 64.5 1.0 O A:HOH705 4.8 73.5 1.0 CA A:ASP17 5.0 52.6 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL3 in Complex with Reaction Intermediate


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 SUL3 in Complex with Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:64.9 occ:1.00 O A:HOH674 3.5 68.2 1.0 OG A:SER224 3.7 83.2 1.0 N A:ASP221 3.7 42.5 1.0 OD1 A:ASP221 3.8 77.2 1.0 CA A:THR220 4.0 42.6 1.0 CB A:SER224 4.1 41.6 1.0 CG A:ASP221 4.2 84.4 1.0 CB A:THR220 4.4 53.8 1.0 C A:THR220 4.4 49.2 1.0 CG2 A:THR220 4.5 38.4 1.0 O A:GLY219 4.5 57.0 1.0 CB A:ASP221 4.6 55.5 1.0 NZ A:LYS223 4.7 83.0 1.0 CA A:ASP221 4.8 58.9 1.0 OD2 A:ASP221 4.9 109.0 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL3 in Complex with Reaction Intermediate


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 SUL3 in Complex with Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:62.1 occ:1.00 O A:HOH684 2.6 59.7 1.0 NE A:ARG155 3.1 24.4 1.0 O A:HOH566 3.2 39.8 1.0 O A:HOH517 3.4 29.0 1.0 NH2 A:ARG155 3.5 23.4 1.0 CZ A:ARG155 3.7 25.9 1.0 CA A:ARG155 3.8 26.1 1.0 O A:GLU154 3.8 30.0 1.0 N A:ARG155 3.9 25.8 1.0 C A:GLU154 3.9 23.8 1.0 CD A:ARG155 4.1 18.9 1.0 CB A:ARG155 4.2 18.2 1.0 CB A:GLU154 4.2 29.9 1.0 CB A:ALA158 4.3 33.2 1.0 O A:HOH473 4.4 35.0 1.0 O A:HOH599 4.7 27.2 0.5 O A:HOH447 4.7 36.5 1.0 CA A:GLU154 4.7 34.4 1.0 CG A:ARG155 4.8 18.0 1.0 O A:HOH671 4.9 53.2 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL3 in Complex with Reaction Intermediate


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 SUL3 in Complex with Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:86.4 occ:1.00 CA A:GLY114 3.8 34.8 1.0 O A:HOH596 3.9 53.7 1.0 OG A:SER90 4.0 38.9 1.0 CB A:SER90 4.0 32.2 1.0 C A:GLY114 4.3 36.9 1.0 CD1 A:ILE93 4.4 54.0 1.0 O A:HOH524 4.4 55.3 1.0 O A:HOH505 4.5 40.3 1.0 CA A:SER90 4.5 32.3 1.0 O A:ILE111 4.7 31.8 1.0 N A:GLY114 4.7 43.7 1.0 O A:GLY114 4.8 43.0 1.0 CB A:ILE111 4.8 27.4 1.0 N A:LEU115 4.8 31.4 1.0 O A:HOH512 5.0 41.1 1.0

P.J.Stogios, P.J.Stogios, M.Venkatesan, K.Michalska, N.Mesa, 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.