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

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

The structure of T4 Lysozyme Core Repacking Mutant CORE10/Ta, PDB code: 1pqd 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)	16.30 / 1.65
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.972, 59.972, 96.659, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of T4 Lysozyme Core Repacking Mutant 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 CORE10/Ta (pdb code 1pqd). 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 CORE10/Ta, PDB code: 1pqd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Core Repacking Mutant 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 CORE10/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:11.4 occ:0.51 O A:HOH209 3.0 19.7 1.0 O A:HOH291 3.0 65.3 1.0 N A:ARG145 3.2 15.0 1.0 N A:ASN144 3.4 10.3 1.0 C A:THR142 3.5 17.8 1.0 CA A:THR142 3.5 13.3 1.0 CB A:THR142 3.6 17.5 1.0 CB A:ARG145 3.8 12.6 1.0 O A:THR142 3.8 17.5 1.0 CB A:ASN144 3.8 18.8 1.0 N A:PRO143 3.9 15.8 1.0 CA A:ASN144 3.9 13.2 1.0 C A:ASN144 4.0 18.2 1.0 CA A:ARG145 4.1 13.7 1.0 CG2 A:THR142 4.2 15.7 1.0 C A:PRO143 4.3 20.2 1.0 CD A:PRO143 4.3 17.1 1.0 CA A:PRO143 4.6 13.1 1.0 OG1 A:THR142 4.8 14.9 1.0 CG A:ASN144 4.8 30.0 1.0 O A:HOH230 4.9 16.7 1.0 N A:THR142 4.9 11.8 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Core Repacking Mutant 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 CORE10/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:17.8 occ:0.62 O A:HOH182 3.2 16.2 1.0 O A:HOH215 3.2 14.7 1.0 O A:HOH246 3.4 29.7 1.0 O A:HOH200 3.8 31.9 1.0 CE1 A:HIS31 3.8 16.9 1.0 CB A:ALA49 3.8 16.1 1.0 NE2 A:HIS31 4.0 15.2 1.0 CA A:ALA49 4.5 20.7 1.0 OE1 A:GLN69 4.5 20.3 1.0 O A:HOH202 4.7 16.2 0.5 CD2 A:LEU66 4.7 15.3 1.0 ND1 A:HIS31 4.9 12.5 1.0 OD1 A:ASP70 5.0 17.6 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