Chlorine in PDB 198l: Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme

All present enzymatic activity of Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme:
3.2.1.17;

The structure of Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme, PDB code: 198l was solved by E.Baldwin, J.Xu, O.Hajiseyedjavadi, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.100, 61.100, 96.100, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme (pdb code 198l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme, PDB code: 198l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:1.9 occ:1.00 O A:HOH209 2.8 40.1 1.0 N A:ARG145 3.4 14.8 1.0 N A:ASN144 3.5 13.2 1.0 C A:THR142 3.5 16.1 1.0 CA A:THR142 3.6 11.1 1.0 CB A:THR142 3.6 20.0 1.0 O A:THR142 3.8 15.8 1.0 CB A:ASN144 3.8 15.1 1.0 N A:PRO143 3.9 30.7 1.0 CA A:ASN144 4.0 22.9 1.0 CB A:ARG145 4.0 21.9 1.0 C A:ASN144 4.2 28.1 1.0 CD A:PRO143 4.2 15.3 1.0 CA A:ARG145 4.3 16.6 1.0 C A:PRO143 4.4 23.6 1.0 CG2 A:THR142 4.4 17.7 1.0 CA A:PRO143 4.7 18.4 1.0 CG A:ASN144 4.7 28.6 1.0 ND2 A:ASN144 4.8 28.4 1.0 O A:HOH230 4.8 50.1 1.0 OG1 A:THR142 4.8 21.8 1.0

Chlorine binding site 2 out of 2 in the Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thermodynamic and Structural Compensation in "Size-Switch" Core- Repacking Variants of T4 Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:1.0 occ:0.50 O A:HOH215 2.8 35.8 1.0 O A:HOH182 3.2 22.4 1.0 O A:HOH200 3.4 35.4 1.0 O A:HOH246 3.5 52.6 1.0 CE1 A:HIS31 4.1 13.1 1.0 CB A:ALA49 4.2 16.5 1.0 NE2 A:HIS31 4.2 17.6 1.0 NE2 A:GLN69 4.3 20.2 1.0 O A:HOH282 4.6 63.0 1.0 O A:HOH202 4.7 47.7 1.0 CA A:ALA49 4.7 25.3 1.0 CD2 A:LEU66 5.0 21.7 1.0

E.Baldwin, J.Xu, O.Hajiseyedjavadi, W.A.Baase, B.W.Matthews. Thermodynamic and Structural Compensation in "Size-Switch" Core Repacking Variants of Bacteriophage T4 Lysozyme. J.Mol.Biol. V. 259 542 1996.
ISSN: ISSN 0022-2836
PubMed: 8676387
DOI: 10.1006/JMBI.1996.0338