Chlorine in PDB 2vd4: Structure of Small-Molecule Inhibitor of Glmu From Haemophilus Influenzae Reveals An Allosteric Binding Site

The structure of Structure of Small-Molecule Inhibitor of Glmu From Haemophilus Influenzae Reveals An Allosteric Binding Site, PDB code: 2vd4 was solved by I.Mochalkin, S.Lightle, L.Mcdowell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	111.80 / 1.90
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	108.186, 108.186, 327.430, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 20.4

The structure of Structure of Small-Molecule Inhibitor of Glmu From Haemophilus Influenzae Reveals An Allosteric Binding Site also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Structure of Small-Molecule Inhibitor of Glmu From Haemophilus Influenzae Reveals An Allosteric Binding Site (pdb code 2vd4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Small-Molecule Inhibitor of Glmu From Haemophilus Influenzae Reveals An Allosteric Binding Site, PDB code: 2vd4:

Chlorine binding site 1 out of 1 in the Structure of Small-Molecule Inhibitor of Glmu From Haemophilus Influenzae Reveals An Allosteric Binding Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Small-Molecule Inhibitor of Glmu From Haemophilus Influenzae Reveals An Allosteric Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1454 b:29.2 occ:1.00 CL15 A:P211454 0.0 29.2 1.0 C11 A:P211454 1.8 27.9 1.0 C13 A:P211454 2.7 27.7 1.0 C14 A:P211454 2.7 27.7 1.0 CD2 A:LEU235 3.3 19.4 1.0 O A:GLN231 3.5 16.2 1.0 CG A:LEU235 3.7 17.9 1.0 CB A:GLU224 3.8 23.3 1.0 CE A:MET221 3.8 33.8 1.0 CB A:ALA234 3.9 17.9 1.0 C8 A:P211454 4.0 27.7 1.0 C9 A:P211454 4.0 28.5 1.0 SD A:MET221 4.0 33.1 1.0 N A:LEU235 4.2 15.6 1.0 CG A:GLU224 4.2 23.0 1.0 C A:GLN231 4.3 16.0 1.0 O A:GLY225 4.3 25.0 1.0 CB A:GLN231 4.4 16.9 1.0 CA A:GLN231 4.4 16.3 1.0 C5 A:P211454 4.5 28.6 1.0 CD A:GLU224 4.6 23.1 1.0 C A:ALA234 4.6 16.0 1.0 CA A:LEU235 4.7 15.7 1.0 CD1 A:LEU235 4.7 18.7 1.0 CB A:LEU235 4.8 16.7 1.0 CA A:ALA234 4.9 17.1 1.0 OE1 A:GLU224 4.9 22.4 1.0 CG A:GLN231 5.0 18.1 1.0

I.Mochalkin, S.Lightle, L.Narasimhan, D.Bornemeier, M.Melnick, S.Vanderroest, L.Mcdowell. Structure of A Small-Molecule Inhibitor Complexed with Glmu From Haemophilus Influenzae Reveals An Allosteric Binding Site. Protein Sci. V. 17 577 2008.
ISSN: ISSN 0961-8368
PubMed: 18218712
DOI: 10.1110/PS.073271408