Chlorine in PDB 2wmz: Structure of A Mutated Tolc

The structure of Structure of A Mutated Tolc, PDB code: 2wmz was solved by P.Hinchliffe, X.Y.Pei, M.F.Symmons, E.Koronakis, C.Hughes, V.Koronakis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.93 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	124.690, 135.220, 136.470, 90.00, 90.00, 90.00
R / Rfree (%)	25.8 / 30.1

The structure of Structure of A Mutated Tolc also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of A Mutated Tolc (pdb code 2wmz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of A Mutated Tolc, PDB code: 2wmz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of A Mutated Tolc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Mutated Tolc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1429 b:64.6 occ:1.00 N A:GLN294 3.2 59.6 1.0 N A:GLY296 3.4 50.4 1.0 C A:GLY296 3.6 56.3 1.0 CA A:GLY296 3.6 54.9 1.0 N A:VAL298 3.6 51.3 1.0 C A:GLN294 3.6 48.8 1.0 CA A:GLN294 3.7 53.4 1.0 N A:MET297 3.7 44.0 1.0 CG2 A:VAL298 3.7 62.3 1.0 O A:GLN294 3.7 62.8 1.0 CB A:GLN294 3.8 44.6 1.0 CB A:VAL298 4.1 67.4 1.0 O A:GLY296 4.1 55.6 1.0 N A:GLY295 4.2 45.6 1.0 C A:TYR293 4.3 59.7 1.0 CG A:GLN294 4.3 28.7 1.0 CD1 A:TYR293 4.3 59.6 1.0 CA A:VAL298 4.4 51.4 1.0 CA A:MET297 4.4 48.2 1.0 C A:MET297 4.5 52.5 1.0 ND2 A:ASN299 4.5 89.8 1.0 C A:GLY295 4.5 54.4 1.0 CA A:TYR293 4.6 50.2 1.0 CE1 A:TYR293 4.6 57.7 1.0 CB A:MET297 4.8 42.1 1.0 N A:ASN299 4.8 64.4 1.0 CA A:GLY295 5.0 48.5 1.0

Chlorine binding site 2 out of 3 in the Structure of A Mutated Tolc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Mutated Tolc within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1429 b:66.4 occ:1.00 N B:GLN294 3.1 64.8 1.0 N B:VAL298 3.5 44.8 1.0 N B:GLY296 3.5 51.9 1.0 CG2 B:VAL298 3.6 48.7 1.0 CA B:GLN294 3.6 59.0 1.0 C B:GLY296 3.6 67.6 1.0 C B:GLN294 3.6 58.5 1.0 CB B:GLN294 3.6 53.9 1.0 N B:MET297 3.7 55.0 1.0 O B:GLN294 3.7 66.7 1.0 CA B:GLY296 3.7 66.2 1.0 CB B:VAL298 4.0 41.9 1.0 CG B:GLN294 4.1 54.0 1.0 O B:GLY296 4.1 47.8 1.0 CA B:VAL298 4.2 46.1 1.0 C B:MET297 4.3 54.8 1.0 N B:GLY295 4.3 58.2 1.0 C B:TYR293 4.3 61.8 1.0 CA B:MET297 4.3 45.1 1.0 CD1 B:TYR293 4.5 49.8 1.0 CB B:MET297 4.6 48.9 1.0 C B:GLY295 4.6 57.9 1.0 CA B:TYR293 4.6 55.0 1.0 ND2 B:ASN299 4.7 82.4 1.0 N B:ASN299 4.8 46.2 1.0 CE1 B:TYR293 4.8 39.7 1.0

Chlorine binding site 3 out of 3 in the Structure of A Mutated Tolc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Mutated Tolc within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1429 b:55.0 occ:1.00 N C:VAL298 3.4 42.0 1.0 N C:GLN294 3.4 45.5 1.0 CG2 C:VAL298 3.5 42.1 1.0 N C:GLY296 3.5 33.9 1.0 C C:GLY296 3.5 39.4 1.0 N C:MET297 3.5 32.5 1.0 CA C:GLY296 3.6 47.2 1.0 O C:GLN294 3.8 43.2 1.0 C C:GLN294 3.8 41.9 1.0 CB C:VAL298 3.8 26.8 1.0 CA C:GLN294 3.9 38.3 1.0 CB C:GLN294 3.9 44.0 1.0 O C:GLY296 4.0 42.2 1.0 CA C:VAL298 4.1 39.6 1.0 C C:MET297 4.2 40.2 1.0 CA C:MET297 4.2 22.9 1.0 CG C:GLN294 4.4 38.0 1.0 ND2 C:ASN299 4.4 64.3 1.0 N C:GLY295 4.4 35.8 1.0 CB C:MET297 4.5 23.6 1.0 N C:ASN299 4.5 36.0 1.0 CD1 C:TYR293 4.5 50.1 1.0 C C:GLY295 4.6 43.6 1.0 C C:TYR293 4.6 39.3 1.0 CE1 C:TYR293 4.7 42.2 1.0 CA C:TYR293 4.8 34.6 1.0 C C:VAL298 4.9 46.9 1.0 NE2 C:HIS244 5.0 65.8 1.0

X.Y.Pei, P.Hinchliffe, M.F.Symmons, E.Koronakis, R.Benz, C.Hughes, V.Koronakis. Structures of Sequential Open States in A Symmetrical Opening Transition of the Tolc Exit Duct. Proc.Natl.Acad.Sci.Usa V. 108 2112 2011.
ISSN: ISSN 0027-8424
PubMed: 21245342
DOI: 10.1073/PNAS.1012588108