Chlorine in PDB 1ovk: T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline

All present enzymatic activity of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline:
3.2.1.17;

The structure of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline, PDB code: 1ovk 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 / 2.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.800, 60.800, 97.200, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline (pdb code 1ovk). 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 N-Allyl-Aniline, PDB code: 1ovk:
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 N-Allyl-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 N-Allyl-Aniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:26.9 occ:0.50 N A:ARG145 3.1 13.8 1.0 N A:ASN144 3.2 5.8 1.0 CB A:ASN144 3.4 14.1 1.0 CA A:ASN144 3.6 2.4 1.0 C A:THR142 3.8 10.8 1.0 CB A:ARG145 3.8 20.2 1.0 C A:ASN144 3.8 17.9 1.0 ND2 A:ASN144 3.9 28.4 1.0 O A:THR142 3.9 10.6 1.0 CA A:THR142 3.9 9.1 1.0 CB A:THR142 3.9 12.2 1.0 CG A:ASN144 4.0 32.2 1.0 CA A:ARG145 4.0 6.9 1.0 N A:PRO143 4.2 8.6 1.0 C A:PRO143 4.2 10.6 1.0 CG2 A:THR142 4.6 5.0 1.0 CD A:PRO143 4.6 15.9 1.0 CA A:PRO143 4.8 14.9 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-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 N-Allyl-Aniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:49.2 occ:1.00 O A:ALA49 2.9 11.2 1.0 O A:HOH282 2.9 30.7 1.0 NE2 A:GLN69 3.3 12.3 1.0 CA A:ALA49 3.6 12.5 1.0 C A:ALA49 3.6 15.1 1.0 CB A:ALA49 3.8 11.1 1.0 O A:HOH239 3.9 44.3 1.0 O A:HOH183 4.1 41.2 1.0 CD2 A:LEU66 4.2 20.8 1.0 CD A:GLN69 4.2 56.0 1.0 OE1 A:GLN69 4.3 10.0 1.0 O A:HOH182 4.5 24.5 1.0 N A:ILE50 4.9 17.0 1.0 N A:ALA49 4.9 8.8 1.0 O A:LYS48 4.9 12.9 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