Chlorine in PDB 3sol: Crystal Structure of the Type 2 Secretion System Pilotin Gsps

The structure of Crystal Structure of the Type 2 Secretion System Pilotin Gsps, PDB code: 3sol was solved by K.V.Korotkov, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.26 / 1.90
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.350, 73.350, 70.730, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of the Type 2 Secretion System Pilotin Gsps (pdb code 3sol). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Type 2 Secretion System Pilotin Gsps, PDB code: 3sol:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Type 2 Secretion System Pilotin Gsps


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 the Type 2 Secretion System Pilotin Gsps within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl200 b:14.8 occ:0.50 O A:HOH2 3.1 12.3 1.0 ND2 A:ASN37 3.4 13.3 1.0 O A:HOH157 3.5 40.3 1.0 O A:CYS36 3.6 13.4 1.0 C A:CYS36 3.7 13.4 1.0 CA A:CYS36 3.8 13.3 1.0 CB A:ASN37 4.1 13.2 1.0 O A:HOH154 4.1 17.0 0.5 CG A:ASN37 4.2 13.1 1.0 CB A:CYS36 4.4 13.8 1.0 N A:ASN37 4.4 12.0 1.0 SG A:CYS90 4.7 14.5 1.0 O A:HOH7 4.7 16.0 1.0 O A:ARG35 4.8 14.0 1.0 CA A:ASN37 4.9 12.5 1.0 N A:CYS36 5.0 13.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Type 2 Secretion System Pilotin Gsps


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 the Type 2 Secretion System Pilotin Gsps within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:34.8 occ:1.00 O A:HOH3 2.8 14.4 1.0 O A:HOH128 2.9 43.0 1.0 N A:GLU86 3.1 14.7 1.0 CG A:GLU86 3.7 16.9 1.0 CA A:PRO85 3.7 16.3 1.0 CB A:GLU86 3.8 15.0 1.0 C A:PRO85 3.9 15.4 1.0 O A:HOH10 4.0 22.8 1.0 CA A:GLU86 4.0 14.4 1.0 O A:HOH124 4.0 17.6 0.5 CB A:PRO85 4.2 15.9 1.0 O A:HOH12 4.6 18.0 1.0 O A:HOH125 4.8 51.3 1.0 N A:TYR87 4.9 12.4 1.0 O A:HOH117 4.9 24.7 1.0 CD A:GLU86 4.9 18.3 1.0 N A:PRO85 5.0 17.7 1.0 O A:THR84 5.0 18.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Type 2 Secretion System Pilotin Gsps


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Type 2 Secretion System Pilotin Gsps within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl107 b:47.1 occ:0.50 CL A:CL108 2.9 55.6 0.5 N A:GLN65 2.9 50.8 1.0 CA A:THR64 3.6 56.8 1.0 CG A:GLN65 3.7 47.8 1.0 C A:THR64 3.7 52.8 1.0 CB A:GLN65 3.8 47.4 1.0 CB A:THR64 3.9 58.9 1.0 CA A:GLN65 3.9 47.7 1.0 NE2 A:GLN65 4.0 51.0 1.0 OD1 A:ASN52 4.2 58.7 1.0 ND2 A:ASN52 4.2 57.1 1.0 CD A:GLN65 4.3 48.2 1.0 CG A:ASN52 4.3 56.6 1.0 CG2 A:THR64 4.5 61.4 1.0 O A:LEU63 4.8 62.5 1.0 N A:GLU66 4.9 47.8 1.0 N A:THR64 4.9 59.1 1.0 O A:THR64 4.9 50.2 1.0 C A:GLN65 5.0 46.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Type 2 Secretion System Pilotin Gsps


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Type 2 Secretion System Pilotin Gsps within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl108 b:55.6 occ:0.50 CL A:CL107 2.9 47.1 0.5 N A:GLU66 3.3 47.8 1.0 N A:GLN65 3.4 50.8 1.0 CB A:THR64 3.7 58.9 1.0 CB A:GLN65 3.9 47.4 1.0 OE2 A:GLU66 3.9 59.8 1.0 CA A:GLN65 4.0 47.7 1.0 CG A:GLU66 4.0 54.1 1.0 CB A:GLU66 4.0 50.2 1.0 C A:GLN65 4.0 46.5 1.0 C A:THR64 4.2 52.8 1.0 CA A:GLU66 4.2 47.5 1.0 CD A:GLU66 4.3 58.5 1.0 OG1 A:THR64 4.3 57.4 1.0 CA A:THR64 4.4 56.8 1.0 CG2 A:THR64 4.6 61.4 1.0 CG A:GLN65 4.8 47.8 1.0

K.V.Korotkov, W.G.Hol. Crystal Structure of the Pilotin From the Enterohemorrhagic Escherichia Coli Type II Secretion System. J.Struct.Biol. V. 182 186 2013.
ISSN: ISSN 1047-8477
PubMed: 23458689
DOI: 10.1016/J.JSB.2013.02.013