Chlorine in PDB 1p3n: Core Redesign Back-Revertant I103V/CORE10

All present enzymatic activity of Core Redesign Back-Revertant I103V/CORE10:
3.2.1.17;

The structure of Core Redesign Back-Revertant I103V/CORE10, PDB code: 1p3n 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)	23.97 / 1.55
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.999, 59.999, 95.941, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of Core Redesign Back-Revertant I103V/CORE10 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Core Redesign Back-Revertant I103V/CORE10 (pdb code 1p3n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Core Redesign Back-Revertant I103V/CORE10, PDB code: 1p3n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Core Redesign Back-Revertant I103V/CORE10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Core Redesign Back-Revertant I103V/CORE10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl973 b:16.0 occ:0.60 O A:HOH291 2.9 25.8 1.0 O A:HOH209 3.0 20.2 1.0 N A:ARG145 3.1 11.2 1.0 N A:ASN144 3.3 12.7 1.0 C A:THR142 3.5 17.6 1.0 CA A:THR142 3.5 14.9 1.0 CB A:THR142 3.6 16.9 1.0 CB A:ARG145 3.6 12.7 1.0 O A:HOH463 3.7 44.7 1.0 CB A:ASN144 3.7 12.8 1.0 O A:THR142 3.7 15.5 1.0 CA A:ASN144 3.8 16.6 1.0 N A:PRO143 3.9 14.9 1.0 CA A:ARG145 3.9 13.4 1.0 C A:ASN144 4.0 15.4 1.0 CG2 A:THR142 4.2 14.4 1.0 C A:PRO143 4.3 15.4 1.0 CD A:PRO143 4.4 14.0 1.0 CG A:ASN144 4.7 31.2 1.0 CA A:PRO143 4.7 10.8 1.0 OG1 A:THR142 4.8 13.5 1.0 O A:HOH230 4.8 17.5 1.0 N A:THR142 5.0 11.2 1.0

Chlorine binding site 2 out of 2 in the Core Redesign Back-Revertant I103V/CORE10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Core Redesign Back-Revertant I103V/CORE10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl978 b:15.7 occ:0.68 O A:HOH182 3.1 15.3 1.0 O A:HOH215 3.3 16.0 1.0 O A:HOH200 3.6 23.2 1.0 CE1 A:HIS31 3.7 16.6 1.0 CB A:ALA49 3.9 16.7 1.0 NE2 A:HIS31 4.0 16.3 1.0 O A:HOH202 4.5 25.2 1.0 NE2 A:GLN69 4.5 15.4 1.0 CA A:ALA49 4.5 18.4 1.0 O A:HOH282 4.9 38.1 1.0 CD2 A:LEU66 4.9 23.1 1.0 ND1 A:HIS31 4.9 11.1 1.0 OD1 A:ASP70 5.0 14.8 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