Chlorine in PDB 5mxh: Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose

The structure of Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose, PDB code: 5mxh was solved by G.Jancarikova, J.Houser, G.Demo, M.Wimmerova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.35 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.323, 81.323, 114.181, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 21.7

The structure of Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose (pdb code 5mxh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose, PDB code: 5mxh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:13.5 occ:0.50 O A:HOH606 3.2 33.8 1.0 NE1 A:TRP55 3.2 27.4 1.0 N A:ASP51 3.3 32.1 1.0 N A:ALA53 3.4 27.6 1.0 CB A:ASP51 3.5 34.5 1.0 N A:LYS52 3.5 35.0 1.0 CA A:ASP51 3.6 34.0 1.0 C A:GLY49 3.6 32.6 1.0 C A:ASP51 3.6 33.8 1.0 CA A:GLY49 3.6 30.7 1.0 CB A:ALA53 3.6 27.4 1.0 N A:THR50 3.9 34.4 1.0 O A:GLY49 3.9 28.4 1.0 CA A:ALA53 4.0 26.4 1.0 CE2 A:TRP55 4.1 27.8 1.0 N A:GLY49 4.1 29.3 1.0 CD1 A:TRP55 4.2 27.4 1.0 O A:ALA53 4.2 25.3 1.0 O A:ASP51 4.2 31.2 1.0 CZ2 A:TRP55 4.3 29.4 1.0 C A:THR50 4.4 35.8 1.0 C A:LYS52 4.4 30.9 1.0 CA A:LYS52 4.5 36.1 1.0 C A:ALA53 4.5 24.2 1.0 CG A:ASP51 4.6 39.7 1.0 O A:HOH591 4.6 33.3 1.0 CA A:THR50 4.7 34.7 1.0 OD2 A:ASP51 5.0 44.8 1.0

Chlorine binding site 2 out of 4 in the Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:35.9 occ:1.00 O A:HOH765 3.1 42.0 1.0 N A:ASP229 3.1 22.7 1.0 CE1 A:HIS180 3.3 22.6 1.0 O A:HOH525 3.5 36.7 1.0 O A:HOH692 3.5 48.1 1.0 CB A:ILE228 3.6 32.0 1.0 NE2 A:HIS180 3.6 23.2 1.0 CA A:ILE228 3.6 27.9 1.0 NZ A:LYS277 3.7 28.1 1.0 CE A:LYS277 3.7 28.8 1.0 O A:ASP229 3.7 23.8 1.0 C A:ILE228 3.9 26.3 1.0 CG2 A:ILE228 4.1 32.6 1.0 CA A:ASP229 4.1 22.9 1.0 O A:HOH697 4.2 23.2 1.0 CB A:ASP229 4.3 23.5 1.0 C A:ASP229 4.3 22.6 1.0 ND1 A:HIS180 4.4 23.2 1.0 CD A:LYS277 4.7 28.1 1.0 CD2 A:HIS180 4.8 22.7 1.0 O A:VAL227 4.8 24.7 1.0 CG1 A:ILE228 4.9 33.1 1.0 N A:ILE228 4.9 26.7 1.0

Chlorine binding site 3 out of 4 in the Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:32.8 occ:1.00 N A:ASP147 3.0 31.6 1.0 NE1 A:TRP151 3.0 23.1 1.0 N A:ALA149 3.5 23.6 1.0 CB A:ASP147 3.5 41.7 1.0 CA A:ASP147 3.5 33.9 1.0 C A:GLY145 3.5 24.8 1.0 CB A:ALA149 3.6 24.2 1.0 CA A:GLY145 3.6 27.0 1.0 N A:ALA146 3.6 26.5 1.0 N A:ASN148 3.7 28.1 1.0 C A:ASP147 3.7 32.0 1.0 CD1 A:TRP151 4.0 21.7 1.0 CA A:ALA149 4.0 25.3 1.0 O A:GLY145 4.0 21.8 1.0 CE2 A:TRP151 4.0 21.8 1.0 C A:ALA146 4.1 30.4 1.0 N A:GLY145 4.2 23.6 1.0 O A:ALA149 4.2 24.0 1.0 CZ2 A:TRP151 4.4 21.7 1.0 CA A:ALA146 4.4 29.4 1.0 C A:ALA149 4.4 24.6 1.0 C A:ASN148 4.5 25.6 1.0 O A:ASP147 4.5 32.0 1.0 CA A:ASN148 4.6 29.9 1.0 O A:HOH582 4.6 27.2 1.0 CG A:ASP147 4.8 47.7 1.0

Chlorine binding site 4 out of 4 in the Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Photorhabdus Asymbiotica Lectin (Phl) in Complex with D-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:39.8 occ:1.00 N A:ASP364 3.2 29.2 1.0 NH1 A:ARG336 3.2 32.6 1.0 O A:HOH599 3.6 54.4 1.0 CA A:ILE363 3.8 30.3 1.0 CB A:ASP364 3.9 32.6 1.0 CB A:ILE363 3.9 33.4 1.0 C A:ILE363 4.0 29.9 1.0 NH2 A:ARG336 4.0 33.3 1.0 CA A:ASP364 4.1 28.8 1.0 CZ A:ARG336 4.1 31.1 1.0 O A:ASP364 4.3 32.8 1.0 CG2 A:ILE363 4.4 34.2 1.0 C A:ASP364 4.6 31.6 1.0 O A:LEU362 4.9 27.7 1.0

G.Jancarikova, J.Houser, P.Dobes, G.Demo, P.Hyrsl, M.Wimmerova. Characterization of Novel Bangle Lectin From Photorhabdus Asymbiotica with Dual Sugar-Binding Specificity and Its Effect on Host Immunity. Plos Pathog. V. 13 06564 2017.
ISSN: ESSN 1553-7374
PubMed: 28806750
DOI: 10.1371/JOURNAL.PPAT.1006564