Chlorine in PDB 1lgx: T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline

All present enzymatic activity of T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline:
3.2.1.17;

The structure of T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline, PDB code: 1lgx was solved by B.Q.Wei, W.A.Baase, L.H.Weaver, B.W.Matthews, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.760, 60.760, 97.580, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline (pdb code 1lgx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline, PDB code: 1lgx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:33.6 occ:1.00 N A:ARG145 3.1 9.9 1.0 N A:ASN144 3.3 1.3 1.0 C A:THR142 3.5 18.2 1.0 CB A:ASN144 3.5 8.9 1.0 CB A:THR142 3.5 7.9 1.0 O A:THR142 3.5 9.5 1.0 CA A:THR142 3.6 1.7 1.0 O A:HOH323 3.6 41.1 1.0 CB A:ARG145 3.7 16.6 1.0 CA A:ASN144 3.8 6.6 1.0 C A:ASN144 3.9 17.9 1.0 N A:PRO143 3.9 15.5 1.0 CA A:ARG145 4.0 4.3 1.0 C A:PRO143 4.2 6.6 1.0 CG2 A:THR142 4.3 6.8 1.0 CG A:ASN144 4.4 66.2 1.0 CD A:PRO143 4.4 12.1 1.0 CA A:PRO143 4.6 10.2 1.0 OG1 A:THR142 4.6 14.0 1.0 ND2 A:ASN144 4.7 25.1 1.0 O A:HOH207 4.9 36.9 1.0 N A:ALA146 5.0 8.7 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme Mutant L99A/M102Q Bound By 3,5-Difluoroaniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:41.4 occ:1.00 O A:ALA49 2.9 9.6 1.0 O A:HOH282 3.2 20.9 1.0 NE2 A:GLN69 3.2 12.2 1.0 C A:ALA49 3.6 13.0 1.0 CA A:ALA49 3.7 20.7 1.0 O A:HOH183 3.9 26.8 1.0 O A:HOH239 3.9 26.9 1.0 CB A:ALA49 3.9 18.6 1.0 CD A:GLN69 4.1 25.2 1.0 CD2 A:LEU66 4.2 12.2 1.0 OE1 A:GLN69 4.2 13.2 1.0 O A:HOH182 4.7 25.0 1.0 N A:ILE50 4.9 12.2 1.0

B.Q.Wei, W.A.Baase, L.H.Weaver, B.W.Matthews, B.K.Shoichet. A Model Binding Site For Testing Scoring Functions in Molecular Docking J.Mol.Biol. V. 322 339 2002.
ISSN: ISSN 0022-2836
PubMed: 12217695
DOI: 10.1016/S0022-2836(02)00777-5