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

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

The structure of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Toluene Binding, PDB code: 3guk 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)	49.49 / 1.85
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	49.486, 49.486, 129.506, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 27.3

The structure of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Toluene 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-- Toluene Binding (pdb code 3guk). 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-- Toluene Binding, PDB code: 3guk:
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-- Toluene 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-- Toluene Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl166 b:82.0 occ:1.00 NH1 A:ARG8 4.0 44.6 1.0 NH2 A:ARG8 4.1 45.7 1.0 CB A:PHE4 4.2 33.7 1.0 NH2 B:ARG8 4.4 45.5 1.0 CD2 A:PHE4 4.4 33.5 1.0 CD2 B:PHE4 4.5 33.3 1.0 CG A:PHE4 4.5 32.1 1.0 ND2 A:ASN2 4.5 33.3 1.0 CZ A:ARG8 4.6 45.3 1.0 CG B:PHE4 4.6 32.2 1.0 CB B:PHE4 4.6 33.8 1.0 OD1 A:ASN2 4.7 34.7 1.0 NH1 B:ARG8 4.8 44.6 1.0 CG A:ASN2 5.0 35.5 1.0

Chlorine binding site 2 out of 3 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Toluene 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-- Toluene Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl167 b:78.8 occ:1.00 N A:ARG145 3.1 54.2 1.0 O A:HOH661 3.3 49.9 1.0 N A:ASP144 3.4 55.9 1.0 C A:CYS142 3.4 57.1 1.0 CA A:CYS142 3.5 57.6 1.0 O A:CYS142 3.6 57.4 1.0 CB A:ASP144 3.6 55.7 1.0 CB A:ARG145 3.7 54.1 1.0 CA A:ASP144 3.8 55.6 1.0 N A:PRO143 3.8 56.8 1.0 C A:ASP144 3.8 54.9 1.0 CD A:ARG145 3.9 58.6 1.0 NH1 A:ARG145 3.9 62.1 1.0 CA A:ARG145 3.9 53.6 1.0 CB A:CYS142 4.0 57.6 1.0 OD2 A:ASP144 4.1 56.5 1.0 CD A:PRO143 4.1 56.9 1.0 CG A:ASP144 4.3 56.4 1.0 C A:PRO143 4.4 56.2 1.0 CB A:CYS21 4.5 56.9 1.0 CG A:ARG145 4.5 56.0 1.0 CA A:PRO143 4.7 56.4 1.0 SG A:CYS21 4.8 60.7 1.0 O A:GLN141 4.8 57.8 1.0 NE A:ARG145 4.8 60.9 1.0 CZ A:ARG145 4.8 61.7 1.0 N A:CYS142 4.9 57.8 1.0 O A:ASP144 4.9 55.0 1.0

Chlorine binding site 3 out of 3 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Toluene 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-- Toluene Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl167 b:79.1 occ:1.00 N B:ARG145 3.4 54.3 1.0 C B:CYS142 3.4 57.1 1.0 CA B:CYS142 3.5 57.6 1.0 N B:ASP144 3.5 55.8 1.0 CB B:ASP144 3.7 55.6 1.0 O B:CYS142 3.7 57.3 1.0 N B:PRO143 3.8 56.7 1.0 CD B:PRO143 3.9 56.8 1.0 CB B:ARG145 3.9 54.1 1.0 CA B:ASP144 4.0 55.5 1.0 NH1 B:ARG145 4.0 62.1 1.0 CB B:CYS142 4.0 57.4 1.0 OD2 B:ASP144 4.1 56.4 1.0 C B:ASP144 4.1 54.9 1.0 CD B:ARG145 4.2 58.6 1.0 CA B:ARG145 4.3 53.5 1.0 CG B:ASP144 4.4 56.4 1.0 CB B:CYS21 4.4 55.4 1.0 C B:PRO143 4.5 56.1 1.0 O B:GLN141 4.6 57.6 1.0 SG B:CYS21 4.6 56.6 1.0 N B:CYS142 4.7 57.7 1.0 CA B:PRO143 4.7 56.3 1.0 CG B:ARG145 4.7 56.0 1.0 CZ B:ARG145 4.9 61.7 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