Chlorine in PDB 3dke: Polar and Non-Polar Cavities in Phage T4 Lysozyme

All present enzymatic activity of Polar and Non-Polar Cavities in Phage T4 Lysozyme:
3.2.1.17;

The structure of Polar and Non-Polar Cavities in Phage T4 Lysozyme, PDB code: 3dke was solved by L.J.Liu, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.13 / 1.25
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.226, 60.226, 96.677, 90.00, 90.00, 120.00
R / Rfree (%)	15.5 / 17.3

The structure of Polar and Non-Polar Cavities in Phage T4 Lysozyme also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Polar and Non-Polar Cavities in Phage T4 Lysozyme (pdb code 3dke). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Polar and Non-Polar Cavities in Phage T4 Lysozyme, PDB code: 3dke:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Polar and Non-Polar Cavities in Phage T4 Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Polar and Non-Polar Cavities in Phage T4 Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl701 b:12.0 occ:1.00 O X:HOH1042 2.6 22.7 1.0 O X:HOH941 3.1 14.4 1.0 N X:ARG145 3.2 8.3 1.0 N X:ASN144 3.4 8.4 1.0 O X:HOH1051 3.4 28.5 1.0 C X:THR142 3.4 7.9 1.0 CA X:THR142 3.5 8.2 1.0 CB X:THR142 3.6 8.5 1.0 CB X:ASN144 3.7 10.6 1.0 O X:THR142 3.8 8.0 1.0 N X:PRO143 3.8 7.8 1.0 CA X:ASN144 3.8 9.3 1.0 CB X:ARG145 3.9 9.2 1.0 C X:ASN144 4.0 8.7 1.0 CG2 X:THR142 4.2 9.6 1.0 CA X:ARG145 4.2 8.7 1.0 CD X:PRO143 4.2 8.4 1.0 C X:PRO143 4.3 7.9 1.0 CA X:PRO143 4.6 8.0 1.0 CG X:ASN144 4.7 13.7 1.0 O X:HOH909 4.8 14.7 1.0 OG1 X:THR142 4.8 9.3 1.0 N X:THR142 4.9 7.9 1.0 CG X:PRO143 4.9 8.8 1.0 OD1 X:ASN144 4.9 18.6 1.0 O X:HOH1104 5.0 30.9 1.0

Chlorine binding site 2 out of 2 in the Polar and Non-Polar Cavities in Phage T4 Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Polar and Non-Polar Cavities in Phage T4 Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl702 b:14.8 occ:1.00 O X:HOH910 3.0 13.9 1.0 NZ X:LYS135 3.1 13.7 1.0 ND2 X:ASN132 3.2 10.9 1.0 CB X:ASN132 3.7 9.5 1.0 CA X:ASN132 3.8 8.6 1.0 CE X:LYS135 3.8 12.2 1.0 CG X:ASN132 3.9 9.5 1.0 CD X:LYS135 3.9 11.4 1.0 N X:ASN132 4.1 8.8 1.0 CG1 X:VAL131 4.2 10.8 1.0 CE X:MSE120 4.4 17.8 1.0 C X:VAL131 4.6 8.9 1.0 O X:HOH1013 4.6 22.7 1.0 O X:HOH1015 4.6 82.8 1.0 O X:GLU128 4.8 8.9 1.0 O X:VAL131 4.9 9.3 1.0 CB X:VAL131 5.0 9.5 1.0

L.Liu, M.L.Quillin, B.W.Matthews. Use of Experimental Crystallographic Phases to Examine the Hydration of Polar and Nonpolar Cavities in T4 Lysozyme Proc.Natl.Acad.Sci.Usa V. 105 14406 2008.
ISSN: ISSN 0027-8424
PubMed: 18780783
DOI: 10.1073/PNAS.0806307105