Chlorine in PDB 6m48: Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form

The structure of Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form, PDB code: 6m48 was solved by A.Kant, A.Palva, I.Von Ossowaski, V.Krishnan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.26 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	116.181, 128.128, 136.358, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.5

The structure of Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form (pdb code 6m48). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form, PDB code: 6m48:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form


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 Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:67.4 occ:1.00 N A:TRP272 3.4 56.8 1.0 CE1 A:HIS305 3.7 59.5 1.0 CA A:GLU271 3.9 64.1 1.0 NE2 A:HIS305 4.0 60.2 1.0 C A:GLU271 4.1 60.8 1.0 CD1 A:TRP272 4.2 46.1 1.0 CB A:TRP272 4.2 51.3 1.0 CA A:TRP272 4.3 55.7 1.0 O A:TRP272 4.4 51.0 1.0 CG A:TRP272 4.6 47.9 1.0 CB A:GLU271 4.6 74.2 1.0 O A:SER270 4.8 56.5 1.0 ND1 A:HIS305 4.9 61.4 1.0 CG A:GLU271 4.9 82.5 1.0 C A:TRP272 4.9 53.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form


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 Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl903 b:85.1 occ:1.00 NE2 A:GLN503 3.0 74.3 1.0 NE A:ARG505 3.6 59.1 1.0 NH2 A:ARG505 3.9 58.6 1.0 CD A:GLN503 4.0 71.5 1.0 CZ A:ARG505 4.3 57.2 1.0 CG A:ARG505 4.4 54.3 1.0 CG A:GLN503 4.4 67.3 1.0 CD A:ARG505 4.6 57.3 1.0 OE1 A:GLN503 4.8 65.3 1.0

A.Kant, A.Palva, I.Von Ossowski, V.Krishnan. Crystal Structure of Lactobacillar Spac Reveals An Atypical Five-Domain Pilus Tip Adhesin: Exposing Its Substrate-Binding and Assembly in Spacba Pili. J.Struct.Biol. V. 211 07571 2020.
ISSN: ESSN 1095-8657
PubMed: 32653644
DOI: 10.1016/J.JSB.2020.107571