Chlorine in PDB 1pqo: T4 Lysozyme Core Repacking Mutant L118I/Ta

All present enzymatic activity of T4 Lysozyme Core Repacking Mutant L118I/Ta:
3.2.1.17;

The structure of T4 Lysozyme Core Repacking Mutant L118I/Ta, PDB code: 1pqo 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)	18.70 / 1.65
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.181, 60.181, 95.862, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 26.1

The structure of T4 Lysozyme Core Repacking Mutant L118I/Ta also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the T4 Lysozyme Core Repacking Mutant L118I/Ta (pdb code 1pqo). 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 L118I/Ta, PDB code: 1pqo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Core Repacking Mutant L118I/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 L118I/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl973 b:21.3 occ:0.58 O A:HOH315 3.0 17.2 1.0 N A:ARG145 3.0 18.7 1.0 N A:ASN144 3.3 15.2 1.0 C A:THR142 3.5 24.5 1.0 CB A:THR142 3.5 22.3 1.0 CA A:THR142 3.5 19.0 1.0 CB A:ARG145 3.7 18.3 1.0 O A:THR142 3.7 25.6 1.0 CB A:ASN144 3.7 20.5 1.0 CA A:ASN144 3.7 19.1 1.0 N A:PRO143 3.9 27.9 1.0 C A:ASN144 3.9 25.1 1.0 CA A:ARG145 3.9 17.8 1.0 C A:PRO143 4.2 20.6 1.0 CG2 A:THR142 4.3 16.1 1.0 CD A:PRO143 4.3 26.1 1.0 CA A:PRO143 4.6 18.2 1.0 OG1 A:THR142 4.6 20.5 1.0 O A:HOH290 4.8 23.7 1.0 CG A:ASN144 4.8 41.2 1.0 O A:HOH294 4.9 29.8 1.0 N A:ALA146 4.9 19.5 1.0 N A:THR142 5.0 17.2 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Core Repacking Mutant L118I/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 L118I/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl978 b:19.8 occ:0.55 O A:HOH293 3.2 19.8 1.0 O A:HOH339 3.3 26.9 1.0 O A:HOH269 3.3 25.2 1.0 CE1 A:HIS31 3.8 24.2 1.0 NE2 A:HIS31 4.0 22.2 1.0 CB A:ALA49 4.1 20.3 1.0 CA A:ALA49 4.5 21.8 1.0 O A:HOH384 4.6 32.0 1.0 NE2 A:GLN69 4.7 21.0 1.0 CD2 A:LEU66 4.8 31.1 1.0 ND1 A:HIS31 4.9 16.8 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