Chlorine in PDB 1ov5: T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2- Allylphenol

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

The structure of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2- Allylphenol, PDB code: 1ov5 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, 96.900, 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 2- Allylphenol (pdb code 1ov5). 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 2- Allylphenol, PDB code: 1ov5:
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 2- Allylphenol


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 2- Allylphenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:50.2 occ:1.00 N A:ARG145 3.0 13.5 1.0 N A:ASN144 3.1 10.2 1.0 CB A:ASN144 3.4 8.5 1.0 CA A:ASN144 3.5 10.3 1.0 C A:THR142 3.6 17.9 1.0 ND2 A:ASN144 3.6 63.5 1.0 C A:ASN144 3.7 23.1 1.0 CB A:ARG145 3.7 7.6 1.0 O A:THR142 3.8 16.7 1.0 CA A:THR142 3.8 7.5 1.0 CG A:ASN144 3.8 69.2 1.0 CA A:ARG145 3.9 11.6 1.0 CB A:THR142 3.9 21.5 1.0 N A:PRO143 3.9 21.6 1.0 C A:PRO143 4.0 11.2 1.0 CD A:PRO143 4.4 13.4 1.0 CA A:PRO143 4.5 22.5 1.0 CG2 A:THR142 4.8 5.0 1.0 O A:ASN144 4.8 19.1 1.0 OD1 A:ASN144 4.9 27.0 1.0 O A:PRO143 4.9 10.4 1.0 OG1 A:THR142 5.0 6.7 1.0

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


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 2- Allylphenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:59.4 occ:1.00 NE2 A:GLN69 2.9 20.8 1.0 O A:HOH282 3.0 32.0 1.0 O A:ALA49 3.3 13.9 1.0 CD A:GLN69 3.8 36.9 1.0 OE1 A:GLN69 3.9 17.9 1.0 O A:HOH183 3.9 33.4 1.0 C A:ALA49 4.0 24.0 1.0 CA A:ALA49 4.0 23.5 1.0 O A:HOH182 4.1 26.6 1.0 O A:HOH239 4.1 24.2 1.0 CD2 A:LEU66 4.2 7.5 1.0 CB A:ALA49 4.2 20.2 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