Chlorine in PDB 1ovj: T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE

All present enzymatic activity of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE:
3.2.1.17;

The structure of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE, PDB code: 1ovj 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)	13.00 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.700, 60.700, 97.500, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE (pdb code 1ovj). 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 Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE, PDB code: 1ovj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:10.3 occ:0.50 N A:ARG145 3.0 4.0 1.0 N A:ASN144 3.3 3.5 1.0 CB A:THR142 3.5 6.3 1.0 CB A:ASN144 3.5 7.9 1.0 C A:THR142 3.5 18.5 1.0 O A:THR142 3.6 5.5 1.0 CA A:THR142 3.6 2.1 1.0 CB A:ARG145 3.7 18.1 1.0 CA A:ASN144 3.7 1.1 1.0 C A:ASN144 3.9 16.6 1.0 CA A:ARG145 4.0 6.6 1.0 N A:PRO143 4.0 16.9 1.0 CG2 A:THR142 4.2 1.1 1.0 C A:PRO143 4.2 3.2 1.0 CG A:ASN144 4.3 24.0 1.0 ND2 A:ASN144 4.6 32.2 1.0 OG1 A:THR142 4.6 12.9 1.0 CA A:PRO143 4.6 4.0 1.0 CD A:PRO143 4.7 12.2 1.0 N A:ALA146 4.9 5.5 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:45.1 occ:1.00 O A:ALA49 2.8 12.7 1.0 NE2 A:GLN69 3.2 11.7 1.0 O A:HOH282 3.3 27.0 1.0 C A:ALA49 3.6 23.6 1.0 O A:HOH183 3.6 22.5 1.0 O A:HOH239 3.7 27.6 1.0 CA A:ALA49 3.7 13.5 1.0 CB A:ALA49 3.9 6.1 1.0 CD A:GLN69 4.2 36.6 1.0 CD2 A:LEU66 4.2 21.9 1.0 OE1 A:GLN69 4.3 18.9 1.0 N A:ILE50 4.8 15.8 1.0 O A:HOH182 4.9 27.2 1.0

B.Q.Wei, L.H.Weaver, A.M.Ferrari, B.W.Matthews, B.K.Shoichet. Testing A Flexible-Receptor Docking Algorithm in A Model Binding Site J.Mol.Biol. V. 337 1161 2004.
ISSN: ISSN 0022-2836
PubMed: 15046985
DOI: 10.1016/J.JMB.2004.02.015