Chlorine in PDB 3guo: T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding

All present enzymatic activity of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding:
3.2.1.17;

The structure of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding, PDB code: 3guo was solved by L.Liu, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.28 / 2.16
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	49.514, 49.514, 130.253, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 27.2

The structure of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding (pdb code 3guo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding, PDB code: 3guo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl165 b:72.3 occ:1.00 C A:CYS142 3.3 69.3 1.0 CA A:CYS142 3.4 71.6 1.0 CD A:PRO143 3.4 77.0 1.0 N A:PRO143 3.5 72.2 1.0 N A:ASP144 3.5 68.0 1.0 N A:ARG145 3.6 59.4 0.6 N A:ARG145 3.6 59.6 0.4 O A:CYS142 3.6 65.2 1.0 CB A:CYS142 4.0 67.4 1.0 CB A:ARG145 4.0 55.6 0.6 CG A:ARG145 4.1 58.8 0.4 CB A:CYS21 4.1 76.2 1.0 CA A:ASP144 4.1 66.0 1.0 CB A:ARG145 4.1 56.0 0.4 CB A:ASP144 4.1 69.5 1.0 C A:ASP144 4.3 60.8 1.0 NH1 A:ARG145 4.4 72.5 0.4 SG A:CYS21 4.4 72.0 1.0 C A:PRO143 4.4 68.2 1.0 CA A:ARG145 4.4 55.3 0.6 CA A:ARG145 4.5 55.6 0.4 CA A:PRO143 4.5 71.2 1.0 O A:GLN141 4.5 82.7 1.0 CD A:ARG145 4.5 61.6 0.4 O A:HOH635 4.6 50.9 1.0 N A:CYS142 4.6 75.5 1.0 OD2 A:ASP144 4.7 81.0 1.0 CG A:PRO143 4.8 79.4 1.0 CG A:ASP144 5.0 75.9 1.0

Chlorine binding site 2 out of 3 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl165 b:84.0 occ:1.00 C B:CYS142 3.2 73.6 1.0 CA B:CYS142 3.3 75.9 1.0 CD B:PRO143 3.5 82.2 1.0 N B:PRO143 3.5 77.0 1.0 N B:ASP144 3.6 72.4 1.0 O B:CYS142 3.6 69.1 1.0 N B:ARG145 3.7 63.0 0.6 N B:ARG145 3.7 63.2 0.4 CB B:CYS21 3.8 0.7 1.0 CB B:CYS142 3.9 71.2 1.0 SG B:CYS21 3.9 0.5 1.0 CB B:ARG145 4.0 58.7 0.6 CG B:ARG145 4.0 61.8 0.4 CB B:ARG145 4.1 59.1 0.4 NH1 B:ARG145 4.3 75.7 0.4 CA B:ASP144 4.3 70.1 1.0 O B:GLN141 4.4 87.6 1.0 CB B:ASP144 4.4 73.6 1.0 C B:ASP144 4.4 64.4 1.0 CD B:ARG145 4.5 64.5 0.4 CA B:ARG145 4.5 58.5 0.6 N B:CYS142 4.5 80.2 1.0 C B:PRO143 4.5 72.6 1.0 CA B:ARG145 4.5 58.8 0.4 CA B:PRO143 4.6 75.9 1.0 SG B:CYS142 4.8 74.9 1.0 CG B:PRO143 4.8 84.7 1.0 OD2 B:ASP144 4.9 85.5 1.0 C B:GLN141 4.9 85.3 1.0

Chlorine binding site 3 out of 3 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Phenol Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl166 b:87.6 occ:1.00 NH1 B:ARG8 4.3 62.1 1.0 CB B:PHE4 4.4 33.9 1.0 NH2 B:ARG8 4.5 64.7 1.0 CG B:PHE4 4.5 34.6 1.0 CD2 B:PHE4 4.5 35.0 1.0 CD2 A:PHE4 4.6 33.1 1.0 CB A:PHE4 4.6 31.9 1.0 CG A:PHE4 4.6 32.8 1.0 NH1 A:ARG8 4.7 57.3 1.0 NH2 A:ARG8 4.7 59.9 1.0 ND2 B:ASN2 4.9 42.5 1.0 CZ B:ARG8 4.9 63.7 1.0

L.Liu, W.A.Baase, M.M.Michael, B.W.Matthews. Use of Stabilizing Mutations to Engineer A Charged Group Within A Ligand-Binding Hydrophobic Cavity in T4 Lysozyme. Biochemistry V. 48 8842 2009.
ISSN: ISSN 0006-2960
PubMed: 19663503
DOI: 10.1021/BI900685J