Chlorine in PDB 9ouf: Crystal Structure of An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis

The structure of Crystal Structure of An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis, PDB code: 9ouf was solved by J.Colautti, Y.Kim, J.C.Whitney, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.18 / 1.39
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.185, 59.151, 40.075, 90, 90, 90
R / Rfree (%)	17 / 19.7

The binding sites of Chlorine atom in the Crystal Structure of An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis (pdb code 9ouf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis, PDB code: 9ouf:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis


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 An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:54.4 occ:1.00 N A:GLY363 2.9 23.3 1.0 ND2 A:ASN368 3.2 22.9 1.0 C1 A:EDO401 3.3 39.1 0.7 C1 A:EDO401 3.4 28.9 0.3 CA A:PRO362 3.6 26.9 1.0 C A:PRO362 3.7 26.7 1.0 ND2 A:ASN364 3.8 20.7 1.0 CA A:GLY363 3.8 21.4 1.0 O A:ARG361 3.9 21.1 1.0 OE1 A:GLU367 4.0 35.9 1.0 OD1 A:ASN368 4.0 23.2 1.0 CG A:ASN368 4.0 24.0 1.0 C2 A:EDO401 4.1 29.2 0.3 C2 A:EDO401 4.1 41.6 0.7 O1 A:EDO401 4.1 37.0 0.7 N A:ASN364 4.2 19.7 1.0 C A:GLY363 4.5 20.9 1.0 O1 A:EDO401 4.6 28.8 0.3 N A:PRO362 4.6 26.0 1.0 CB A:PRO362 4.6 28.1 1.0 C A:ARG361 4.7 22.4 1.0 CG A:ASN364 4.9 21.4 1.0 O A:PRO362 4.9 29.6 1.0 O2 A:EDO401 4.9 30.9 0.3

Chlorine binding site 2 out of 3 in the Crystal Structure of An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis


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 An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:64.5 occ:1.00 O A:HOH538 3.2 43.8 1.0 O A:HOH528 3.7 24.3 1.0 CL A:CL404 4.0 62.3 1.0 OE2 A:GLU313 4.5 19.9 1.0 CE3 A:TRP337 4.6 19.9 1.0 CD1 A:TRP326 4.7 47.3 1.0 CZ2 A:TRP287 4.7 23.8 1.0 O A:HOH595 4.8 45.6 1.0 CG A:TRP326 4.8 48.6 1.0 CD1 A:ILE365 4.8 34.4 1.0 NE1 A:TRP326 4.8 45.6 1.0 CD2 A:TRP337 4.9 18.4 1.0 CD2 A:TRP326 5.0 48.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis


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 An Adp-Ribosyl Hydrolase From Streptococcus Parasanguinis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:62.3 occ:1.00 O A:HOH517 2.9 31.4 1.0 NE A:ARG361 3.2 41.5 1.0 N A:ILE365 3.2 23.6 1.0 NH2 A:ARG361 3.4 45.0 1.0 CA A:ASN364 3.8 20.1 1.0 CZ A:ARG361 3.8 44.1 1.0 CG1 A:ILE365 3.9 32.5 1.0 CB A:ILE365 4.0 29.6 1.0 CL A:CL403 4.0 64.5 1.0 C A:ASN364 4.0 21.1 1.0 CB A:ASN364 4.1 19.8 1.0 CA A:ILE365 4.2 25.8 1.0 CD A:ARG361 4.3 39.0 1.0 CD1 A:ILE365 4.6 34.4 1.0 CG A:ARG361 4.7 34.4 1.0 OG A:SER288 4.9 23.0 1.0 O A:HOH574 4.9 32.4 1.0 N A:ASN364 5.0 19.7 1.0 O A:GLY363 5.0 22.4 1.0

J.Colautti, Y.Kim, J.C.Whitney. Antibacterial Adp-Ribosyl Cyclase Toxins Inhibit Bacterial Growth By Rapidly Depleting Nad(P). J.Biol.Chem. 10491 2025.
ISSN: ESSN 1083-351X
PubMed: 40680842
DOI: 10.1016/J.JBC.2025.110491