Chlorine in PDB 4ytg: Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase (Ppad) Mutant C351A in Complex with Dipeptide Met-Arg.

The structure of Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase (Ppad) Mutant C351A in Complex with Dipeptide Met-Arg., PDB code: 4ytg was solved by T.Goulas, D.Mizgalska, I.Garcia-Ferrer, T.Kantyka, T.Guevara, B.Szmigielski, A.Sroka, C.Millan, I.Uson, F.Veillard, B.Potempa, P.Mydel, M.Sola, J.Potempa, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.57 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.360, 59.320, 84.610, 90.00, 126.59, 90.00
R / Rfree (%)	15.6 / 18.2

The structure of Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase (Ppad) Mutant C351A in Complex with Dipeptide Met-Arg. also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase (Ppad) Mutant C351A in Complex with Dipeptide Met-Arg. (pdb code 4ytg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase (Ppad) Mutant C351A in Complex with Dipeptide Met-Arg., PDB code: 4ytg:

Chlorine binding site 1 out of 1 in the Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase (Ppad) Mutant C351A in Complex with Dipeptide Met-Arg.


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 Porphyromonas Gingivalis Peptidylarginine Deiminase (Ppad) Mutant C351A in Complex with Dipeptide Met-Arg. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:66.2 occ:1.00 N A:ASN49 3.0 25.8 1.0 O A:HOH671 3.6 37.9 1.0 CG A:ASN49 3.7 40.4 1.0 CA A:THR48 3.7 24.7 1.0 CB A:ASN49 3.7 27.6 1.0 ND2 A:ASN49 3.7 39.1 1.0 CB A:THR48 3.7 27.4 1.0 C A:THR48 3.8 27.8 1.0 CA A:ASN49 4.0 25.5 1.0 OD1 A:ASN49 4.2 37.0 1.0 O A:HOH860 4.4 39.7 1.0 O A:HOH709 4.5 51.8 1.0 O A:HOH715 4.6 33.4 1.0 CG2 A:THR48 4.6 24.8 1.0 OG1 A:THR48 4.7 24.7 1.0 O A:HOH688 4.8 47.9 1.0 O A:ASN49 4.9 27.1 1.0 C A:ASN49 5.0 28.7 1.0

T.Goulas, D.Mizgalska, I.Garcia-Ferrer, T.Kantyka, T.Guevara, B.Szmigielski, A.Sroka, C.Millan, I.Uson, F.Veillard, B.Potempa, P.Mydel, M.Sola, J.Potempa, F.X.Gomis-Ruth. Structure and Mechanism of A Bacterial Host-Protein Citrullinating Virulence Factor, Porphyromonas Gingivalis Peptidylarginine Deiminase. Sci Rep V. 5 11969 2015.
ISSN: ESSN 2045-2322
PubMed: 26132828
DOI: 10.1038/SREP11969