Chlorine in PDB 6sqx: Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida

The structure of Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida, PDB code: 6sqx was solved by J.Lisboa, P.J.B.Pereira, N.M.S.Dos Santos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.29 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.578, 109.966, 130.936, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.5

The binding sites of Chlorine atom in the Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida (pdb code 6sqx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida, PDB code: 6sqx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:21.8 occ:1.00 O A:HOH729 3.1 23.1 1.0 NZ A:LYS202 3.2 22.1 1.0 N A:TYR78 3.3 21.3 1.0 NE2 A:GLN67 3.3 20.9 1.0 CA A:PHE77 3.6 21.3 1.0 CE2 A:PHE66 3.6 24.2 1.0 O A:ASP76 3.6 23.3 1.0 O A:HOH852 3.6 22.6 1.0 CD A:LYS202 3.8 19.9 1.0 CD1 A:TYR78 3.8 25.7 1.0 C A:PHE77 3.9 21.7 1.0 CD1 A:PHE77 4.0 20.3 1.0 CE A:LYS202 4.0 21.2 1.0 CD2 A:PHE66 4.0 22.5 1.0 CD A:GLN67 4.2 20.6 1.0 OE1 A:GLN67 4.2 20.7 1.0 CB A:TYR78 4.3 21.7 1.0 CA A:TYR78 4.3 20.9 1.0 C A:ASP76 4.4 22.2 1.0 N A:PHE77 4.4 22.2 1.0 O A:TYR78 4.4 20.9 1.0 CB A:PHE77 4.5 20.9 1.0 CG A:TYR78 4.5 23.8 1.0 CG A:LYS202 4.6 20.0 1.0 CG A:PHE77 4.6 20.0 1.0 CZ A:PHE66 4.8 24.8 1.0 O A:HOH878 4.8 20.1 1.0 CE1 A:PHE77 4.8 20.9 1.0 CE1 A:TYR78 4.8 27.0 1.0 C A:TYR78 4.9 20.6 1.0

Chlorine binding site 2 out of 6 in the Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:23.7 occ:1.00 O A:HOH935 3.1 17.3 1.0 N A:ALA180 3.3 17.3 1.0 O A:HOH1047 3.3 27.5 1.0 O A:HOH928 3.3 23.0 1.0 O A:HOH806 3.4 23.2 1.0 NE A:ARG341 3.5 19.5 1.0 CZ A:ARG341 3.6 18.7 1.0 O A:ALA180 3.8 22.8 1.0 NH2 A:ARG341 3.8 19.2 1.0 CA A:SER179 3.8 17.5 1.0 CB A:SER179 3.9 18.1 1.0 CD A:ARG341 4.0 20.0 1.0 C A:SER179 4.0 18.1 1.0 NH1 A:ARG341 4.1 19.1 1.0 ND2 A:ASN322 4.1 19.3 1.0 CA A:ALA180 4.2 18.3 1.0 CB A:ALA180 4.3 19.0 1.0 CA A:GLY326 4.4 16.6 1.0 OG A:SER179 4.4 19.3 1.0 C A:ALA180 4.4 20.4 1.0 O A:HOH769 4.5 25.6 1.0 CA A:GLY317 4.8 16.8 1.0 O A:GLY316 5.0 18.3 1.0

Chlorine binding site 3 out of 6 in the Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:29.0 occ:1.00 O A:HOH906 3.0 28.1 1.0 NE1 A:TRP463 3.2 23.7 1.0 O A:HOH1092 3.3 32.5 1.0 N A:GLY443 3.3 21.1 1.0 O A:HOH615 3.3 37.6 1.0 CB A:PRO441 3.7 20.3 1.0 CA A:GLY443 3.8 21.3 1.0 CE2 A:TRP463 4.1 24.3 1.0 CB A:VAL410 4.1 27.5 1.0 N A:ILE442 4.1 20.0 1.0 CD1 A:TRP463 4.2 23.9 1.0 CZ2 A:TRP463 4.2 24.8 1.0 O A:ALA411 4.3 23.8 1.0 O A:GLY443 4.4 20.8 1.0 CG1 A:VAL410 4.4 28.7 1.0 C A:ILE442 4.4 20.3 1.0 C A:GLY443 4.5 20.0 1.0 CA A:PRO441 4.5 20.4 1.0 C A:PRO441 4.5 20.2 1.0 OD2 A:ASP446 4.6 28.3 1.0 CA A:ILE442 4.6 19.9 1.0 CB A:ILE442 4.7 21.7 1.0 O A:HOH649 4.8 23.7 1.0 CG2 A:VAL410 4.8 27.1 1.0 N A:ALA411 4.9 22.4 1.0 CG A:PRO441 4.9 19.9 1.0 CA A:VAL410 5.0 26.4 1.0 O A:HOH1104 5.0 39.3 0.8

Chlorine binding site 4 out of 6 in the Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:21.0 occ:1.00 O B:HOH682 3.1 22.2 1.0 NZ B:LYS202 3.2 20.4 1.0 NE2 B:GLN67 3.3 20.9 1.0 N B:TYR78 3.3 18.9 1.0 O B:HOH883 3.6 21.5 1.0 CA B:PHE77 3.6 18.2 1.0 CE2 B:PHE66 3.7 23.0 1.0 O B:ASP76 3.7 22.4 1.0 CD B:LYS202 3.8 18.5 1.0 CD1 B:TYR78 3.9 23.5 1.0 C B:PHE77 3.9 19.1 1.0 CD1 B:PHE77 4.0 19.0 1.0 CD2 B:PHE66 4.0 21.4 1.0 CE B:LYS202 4.0 18.8 1.0 CD B:GLN67 4.2 18.6 1.0 OE1 B:GLN67 4.2 18.7 1.0 CB B:TYR78 4.3 19.4 1.0 CA B:TYR78 4.3 18.7 1.0 O B:TYR78 4.4 19.4 1.0 C B:ASP76 4.4 21.3 1.0 N B:PHE77 4.5 19.0 1.0 CB B:PHE77 4.5 18.9 1.0 CG B:TYR78 4.6 21.7 1.0 CG B:LYS202 4.6 18.5 1.0 CG B:PHE77 4.7 18.3 1.0 O B:HOH920 4.8 18.7 1.0 CE1 B:PHE77 4.8 18.5 1.0 CE1 B:TYR78 4.9 27.0 1.0 CZ B:PHE66 4.9 23.4 1.0 C B:TYR78 4.9 18.7 1.0

Chlorine binding site 5 out of 6 in the Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:21.8 occ:1.00 O B:HOH919 3.1 22.6 1.0 O B:HOH656 3.2 28.9 1.0 NE1 B:TRP463 3.2 18.3 1.0 O B:HOH1129 3.2 24.7 1.0 N B:GLY443 3.3 16.7 1.0 CA B:GLY443 3.7 16.8 1.0 CB B:PRO441 3.7 18.3 1.0 CE2 B:TRP463 4.1 18.6 1.0 CB B:VAL410 4.1 22.6 1.0 N B:ILE442 4.2 16.5 1.0 CD1 B:TRP463 4.2 17.6 1.0 O B:GLY443 4.2 17.6 1.0 CZ2 B:TRP463 4.3 20.0 1.0 CG1 B:VAL410 4.3 22.9 1.0 C B:GLY443 4.4 16.1 1.0 C B:ILE442 4.4 17.0 1.0 O B:ALA411 4.4 17.8 1.0 CA B:PRO441 4.5 16.2 1.0 OD2 B:ASP446 4.5 23.6 1.0 C B:PRO441 4.6 15.8 1.0 CA B:ILE442 4.7 16.7 1.0 O B:HOH641 4.7 19.9 1.0 CB B:ILE442 4.8 18.0 1.0 O B:HOH914 4.9 32.4 1.0 CG2 B:VAL410 4.9 23.1 1.0 CG B:PRO441 5.0 18.7 1.0 N B:ALA411 5.0 18.4 1.0

Chlorine binding site 6 out of 6 in the Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Insights Into A Novel Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscisida within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:23.7 occ:1.00 O B:HOH947 3.1 16.5 1.0 N B:ALA180 3.2 17.0 1.0 O B:HOH938 3.2 23.1 1.0 O B:HOH1087 3.3 24.9 1.0 O B:HOH822 3.5 23.3 1.0 NE B:ARG341 3.5 18.4 1.0 CZ B:ARG341 3.6 18.0 1.0 O B:ALA180 3.8 21.1 1.0 CA B:SER179 3.8 15.5 1.0 NH2 B:ARG341 3.8 18.3 1.0 CB B:SER179 3.9 17.5 1.0 CD B:ARG341 4.0 18.1 1.0 C B:SER179 4.0 16.9 1.0 ND2 B:ASN322 4.1 17.2 1.0 NH1 B:ARG341 4.2 19.1 1.0 CA B:ALA180 4.2 16.6 1.0 CA B:GLY326 4.4 15.8 1.0 CB B:ALA180 4.4 18.9 1.0 C B:ALA180 4.4 18.4 1.0 OG B:SER179 4.4 18.6 1.0 O B:HOH749 4.5 24.5 1.0 CA B:GLY317 4.8 16.9 1.0 O B:GLY316 5.0 16.6 1.0

J.Lisboa, C.Pereira, A.Rifflet, J.A.Ayala, M.Terceti, I.S.Rodrigues, M.S.Terceti, P.J.B.Pereira, C.R.Osorio, F.Garcia-Del Portillo, I.G.Boneca, A.Do Vale, N.M.S.Dos Santos. Structural and Functional Characterization of A Secreted Nlpc/P60 Endopeptidase From Photobacterium Damselae Subsp. Piscicida That Acts on the Peptidoglycan of Potentially Competing Bacteria To Be Published.