Chlorine in PDB 1pqi: T4 Lysozyme Core Repacking Mutant I118L/CORE7/Ta

All present enzymatic activity of T4 Lysozyme Core Repacking Mutant I118L/CORE7/Ta:
3.2.1.17;

The structure of T4 Lysozyme Core Repacking Mutant I118L/CORE7/Ta, PDB code: 1pqi 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)	22.83 / 1.57
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.001, 60.001, 95.615, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 26.6

The structure of T4 Lysozyme Core Repacking Mutant I118L/CORE7/Ta also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the T4 Lysozyme Core Repacking Mutant I118L/CORE7/Ta (pdb code 1pqi). 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 I118L/CORE7/Ta, PDB code: 1pqi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Core Repacking Mutant I118L/CORE7/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 I118L/CORE7/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl973 b:16.5 occ:0.54 O A:HOH209 3.0 20.9 1.0 N A:ARG145 3.0 14.4 1.0 N A:ASN144 3.2 15.7 1.0 C A:THR142 3.5 19.5 1.0 CA A:THR142 3.6 20.9 1.0 CB A:THR142 3.6 16.6 1.0 CA A:ASN144 3.7 23.3 1.0 CB A:ASN144 3.7 16.0 1.0 O A:THR142 3.7 15.9 1.0 CB A:ARG145 3.7 19.5 1.0 N A:PRO143 3.8 16.4 1.0 C A:ASN144 3.9 20.1 1.0 CA A:ARG145 4.0 15.7 1.0 O A:HOH463 4.0 46.6 1.0 C A:PRO143 4.1 12.8 1.0 CG2 A:THR142 4.3 17.1 1.0 CD A:PRO143 4.3 17.2 1.0 CA A:PRO143 4.5 13.0 1.0 O A:HOH230 4.7 22.4 1.0 CG A:ASN144 4.7 43.5 1.0 OG1 A:THR142 4.8 15.5 1.0 N A:ALA146 5.0 12.2 1.0 O A:PRO143 5.0 18.0 1.0 N A:THR142 5.0 13.4 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Core Repacking Mutant I118L/CORE7/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 I118L/CORE7/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl978 b:18.4 occ:0.60 O A:HOH215 3.1 15.8 1.0 O A:HOH182 3.1 13.3 1.0 O A:HOH200 3.2 26.4 1.0 CE1 A:HIS31 3.6 15.6 1.0 NE2 A:HIS31 3.8 14.2 1.0 CB A:ALA49 4.1 15.4 1.0 CA A:ALA49 4.4 16.0 1.0 NE2 A:GLN69 4.5 14.2 1.0 CD2 A:LEU66 4.6 16.7 1.0 O A:HOH202 4.7 22.0 1.0 O A:HOH282 4.7 27.4 1.0 ND1 A:HIS31 4.8 13.1 1.0 OD1 A:ASP70 4.9 17.3 1.0 O A:ALA49 5.0 17.3 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