Chlorine in PDB 1pqj: T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta

All present enzymatic activity of T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta:
3.2.1.17;

The structure of T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta, PDB code: 1pqj was solved by B.H.Mooers, D.Datta, W.A.Baase, E.S.Zollars, S.L.Mayo, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.70 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.520, 59.520, 95.520, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 26.9

The structure of T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta (pdb code 1pqj). 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 Core Repacking Mutant A111V/CORE10/Ta, PDB code: 1pqj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl973 b:24.3 occ:0.70 O A:HOH209 3.1 33.8 1.0 N A:ARG145 3.2 16.5 1.0 O A:HOH463 3.3 53.3 1.0 N A:ASN144 3.4 17.8 1.0 CB A:ASN144 3.5 37.2 0.7 C A:THR142 3.6 19.7 1.0 CA A:THR142 3.6 16.1 1.0 CB A:THR142 3.7 25.0 1.0 CB A:ARG145 3.8 22.4 1.0 CA A:ASN144 3.8 27.9 0.7 CA A:ASN144 3.8 25.0 0.3 N A:PRO143 3.9 22.8 1.0 O A:THR142 4.0 23.0 1.0 C A:ASN144 4.0 31.7 0.7 C A:ASN144 4.0 27.4 0.3 CB A:ASN144 4.1 29.0 0.3 CA A:ARG145 4.1 14.9 1.0 OD1 A:ASN144 4.1 0.0 0.7 CG2 A:THR142 4.2 23.6 1.0 CD A:PRO143 4.3 24.7 1.0 CG A:ASN144 4.3 21.4 0.7 C A:PRO143 4.3 20.9 1.0 CA A:PRO143 4.7 21.6 1.0 O A:HOH230 4.8 22.4 1.0 OG1 A:THR142 4.9 23.8 1.0 CG A:ASN144 5.0 9.9 0.3 ND2 A:ASN144 5.0 84.4 0.3

Chlorine binding site 2 out of 2 in the T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme Core Repacking Mutant A111V/CORE10/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl978 b:10.8 occ:0.45 O A:HOH215 3.1 20.1 1.0 O A:HOH182 3.3 23.9 1.0 O A:HOH200 3.4 38.2 1.0 CE1 A:HIS31 3.7 23.7 1.0 NE2 A:HIS31 4.1 23.0 1.0 CB A:ALA49 4.2 23.9 1.0 CA A:ALA49 4.5 32.4 1.0 NE2 A:GLN69 4.6 20.3 1.0 O A:HOH202 4.6 39.2 1.0 ND1 A:HIS31 4.8 22.5 1.0 CD2 A:LEU66 4.9 25.0 1.0 OD1 A:ASP70 5.0 24.2 1.0

B.H.Mooers, D.Datta, W.A.Baase, E.S.Zollars, S.L.Mayo, B.W.Matthews. Repacking the Core of T4 Lysozyme By Automated Design J.Mol.Biol. V. 332 741 2003.
ISSN: ISSN 0022-2836
PubMed: 12963380
DOI: 10.1016/S0022-2836(03)00856-8