Chlorine in PDB 1p46: T4 Lysozyme Core Repacking Mutant M106I/Ta

All present enzymatic activity of T4 Lysozyme Core Repacking Mutant M106I/Ta:
3.2.1.17;

The structure of T4 Lysozyme Core Repacking Mutant M106I/Ta, PDB code: 1p46 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)	16.00 / 1.67
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.938, 59.938, 95.112, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of T4 Lysozyme Core Repacking Mutant M106I/Ta also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the T4 Lysozyme Core Repacking Mutant M106I/Ta (pdb code 1p46). 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 M106I/Ta, PDB code: 1p46:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Core Repacking Mutant M106I/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 M106I/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl973 b:16.8 occ:0.74 O A:HOH291 2.9 32.4 1.0 O A:HOH209 3.0 17.5 1.0 N A:ARG145 3.1 15.4 1.0 N A:ASN144 3.3 12.8 1.0 O A:HOH463 3.4 41.7 1.0 C A:THR142 3.5 17.1 1.0 CA A:THR142 3.5 11.6 1.0 CB A:THR142 3.5 18.8 1.0 CB A:ASN144 3.7 11.6 1.0 O A:THR142 3.7 16.9 1.0 CB A:ARG145 3.7 10.6 1.0 CA A:ASN144 3.8 13.9 1.0 N A:PRO143 3.9 23.6 1.0 C A:ASN144 3.9 17.6 1.0 CA A:ARG145 4.0 13.5 1.0 C A:PRO143 4.2 15.2 1.0 CG2 A:THR142 4.2 14.4 1.0 CD A:PRO143 4.3 18.8 1.0 CG A:ASN144 4.6 25.0 1.0 CA A:PRO143 4.6 12.5 1.0 OG1 A:THR142 4.7 14.0 1.0 O A:HOH230 4.8 13.5 1.0 N A:THR142 4.9 15.5 1.0 OD1 A:ASN144 5.0 30.7 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Core Repacking Mutant M106I/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 M106I/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl978 b:21.6 occ:0.69 O A:HOH182 3.1 15.8 1.0 O A:HOH246 3.2 26.4 1.0 O A:HOH215 3.4 15.3 1.0 NE2 A:HIS31 3.6 18.7 1.0 O A:HOH200 3.7 36.2 1.0 CB A:ALA49 3.8 16.1 1.0 CE1 A:HIS31 4.1 12.5 1.0 CA A:ALA49 4.5 15.0 1.0 O A:HOH202 4.5 13.0 0.5 OE1 A:GLN69 4.6 18.1 1.0 O A:HOH550 4.6 34.6 1.0 CD2 A:HIS31 4.8 6.6 1.0 CD2 A:LEU66 4.8 17.4 1.0 OD1 A:ASP70 4.9 15.0 1.0 O A:HOH202 5.0 19.1 0.5

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