Chlorine in PDB 4le7: The Crystal Structure of Pyocin L1 at 2.09 Angstroms

The structure of The Crystal Structure of Pyocin L1 at 2.09 Angstroms, PDB code: 4le7 was solved by R.Grinter, A.W.Roszak, L.Mccaughey, R.J.Cogdell, D.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.39 / 2.09
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.410, 158.400, 147.670, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.2

The binding sites of Chlorine atom in the The Crystal Structure of Pyocin L1 at 2.09 Angstroms (pdb code 4le7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of Pyocin L1 at 2.09 Angstroms, PDB code: 4le7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Crystal Structure of Pyocin L1 at 2.09 Angstroms


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Pyocin L1 at 2.09 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl329 b:34.8 occ:1.00 OG1 A:THR245 3.1 22.8 1.0 NZ A:LYS122 3.1 31.4 1.0 O2 A:EDO307 3.5 49.1 0.8 CB A:THR245 3.7 26.0 1.0 CG2 A:THR245 3.8 27.6 1.0 CE A:LYS122 3.9 34.0 1.0 C1 A:EDO301 3.9 33.3 1.0 CD A:LYS122 4.2 30.9 1.0 O1 A:EDO307 4.2 47.5 0.8 C2 A:EDO301 4.4 34.2 1.0 CB A:ALA6 4.4 21.1 1.0 C2 A:EDO307 4.7 47.0 0.8 O A:HOH439 4.8 25.7 1.0

Chlorine binding site 2 out of 3 in the The Crystal Structure of Pyocin L1 at 2.09 Angstroms


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Pyocin L1 at 2.09 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl330 b:30.7 occ:0.50 O A:HOH573 3.1 42.8 1.0 N A:ASN46 3.1 21.1 1.0 ND2 A:ASN46 3.3 21.8 1.0 O A:ASN46 3.4 18.7 1.0 CD1 A:TRP45 3.5 23.3 1.0 CA A:TRP45 3.6 24.7 1.0 O A:HOH461 3.8 48.6 1.0 C A:TRP45 3.9 22.4 1.0 CG A:TRP45 3.9 23.8 1.0 CA A:ASN46 4.1 20.6 1.0 NE1 A:TRP45 4.1 24.8 1.0 C A:ASN46 4.1 21.2 1.0 CB A:TRP45 4.2 26.3 1.0 CG A:ASN46 4.4 23.3 1.0 CD2 A:TRP45 4.7 21.6 1.0 CB A:ASN46 4.7 21.0 1.0 CE2 A:TRP45 4.8 23.1 1.0 N A:TRP45 4.8 24.0 1.0 O A:ILE44 5.0 23.3 1.0

Chlorine binding site 3 out of 3 in the The Crystal Structure of Pyocin L1 at 2.09 Angstroms


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Pyocin L1 at 2.09 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl315 b:41.1 occ:0.40 N B:VAL10 3.1 38.3 1.0 CG1 B:VAL10 3.2 52.6 1.0 O B:VAL10 3.6 38.2 1.0 CA B:GLN9 3.6 41.7 1.0 CG B:GLN9 3.8 42.4 1.0 C B:GLN9 3.8 41.8 1.0 O B:HOH482 3.9 49.6 1.0 CA B:VAL10 4.0 42.0 1.0 CB B:GLN9 4.2 42.4 1.0 CB B:VAL10 4.2 45.4 1.0 C B:VAL10 4.2 40.2 1.0 C1 B:EDO309 4.5 41.2 0.5 O B:ARG8 4.5 41.6 1.0 O2 B:EDO309 4.6 42.2 0.5 N B:GLN9 4.7 42.5 1.0 CD B:GLN9 5.0 44.0 1.0

L.C.Mccaughey, R.Grinter, I.Josts, A.W.Roszak, K.I.Walen, R.J.Cogdell, J.Milner, T.Evans, S.Kelly, N.P.Tucker, O.Byron, B.Smith, D.Walker. Lectin-Like Bacteriocins From Pseudomonas Spp. Utilise D-Rhamnose Containing Lipopolysaccharide As A Cellular Receptor. Plos Pathog. V. 10 03898 2014.
ISSN: ISSN 1553-7366
PubMed: 24516380
DOI: 10.1371/JOURNAL.PPAT.1003898