Chlorine in PDB 1p36: T4 Lyoszyme Core Repacking Mutant I100V/Ta

All present enzymatic activity of T4 Lyoszyme Core Repacking Mutant I100V/Ta:
3.2.1.17;

The structure of T4 Lyoszyme Core Repacking Mutant I100V/Ta, PDB code: 1p36 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)	27.00 / 1.45
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.843, 59.843, 95.579, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of T4 Lyoszyme Core Repacking Mutant I100V/Ta also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the T4 Lyoszyme Core Repacking Mutant I100V/Ta (pdb code 1p36). 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 Lyoszyme Core Repacking Mutant I100V/Ta, PDB code: 1p36:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lyoszyme Core Repacking Mutant I100V/Ta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lyoszyme Core Repacking Mutant I100V/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl973 b:15.5 occ:0.77 O A:HOH291 2.9 20.9 1.0 O A:HOH209 3.0 12.7 1.0 N A:ARG145 3.1 8.8 1.0 N A:ASN144 3.3 9.4 1.0 C A:THR142 3.5 9.9 1.0 CA A:THR142 3.5 8.1 1.0 O A:HOH463 3.5 29.3 1.0 CB A:THR142 3.6 11.1 1.0 CB A:ARG145 3.7 12.3 1.0 CB A:ASN144 3.8 10.5 1.0 O A:THR142 3.8 9.9 1.0 N A:PRO143 3.8 9.8 1.0 CA A:ASN144 3.8 10.4 1.0 C A:ASN144 4.0 10.8 1.0 CA A:ARG145 4.0 8.9 1.0 C A:PRO143 4.2 10.4 1.0 CD A:PRO143 4.3 12.2 1.0 CG2 A:THR142 4.4 10.5 1.0 CA A:PRO143 4.6 8.2 1.0 O A:HOH230 4.7 14.6 1.0 CG A:ASN144 4.8 23.3 1.0 OG1 A:THR142 4.8 10.2 1.0 O A:HOH237 4.9 19.8 1.0 N A:THR142 5.0 8.6 1.0

Chlorine binding site 2 out of 2 in the T4 Lyoszyme Core Repacking Mutant I100V/Ta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lyoszyme Core Repacking Mutant I100V/Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl978 b:13.4 occ:0.77 O A:HOH182 3.1 12.6 1.0 O A:HOH215 3.2 11.3 1.0 O A:HOH246 3.5 22.8 1.0 CE1 A:HIS31 3.7 9.9 1.0 O A:HOH200 3.7 22.1 1.0 CB A:ALA49 3.9 12.0 1.0 NE2 A:HIS31 4.0 10.4 1.0 CA A:ALA49 4.5 10.8 1.0 O A:HOH202 4.5 24.5 1.0 NE2 A:GLN69 4.5 10.6 1.0 O A:HOH282 4.6 21.8 1.0 CD2 A:LEU66 4.8 16.2 1.0 ND1 A:HIS31 4.8 9.0 1.0 OD1 A:ASP70 4.9 11.8 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