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

Enzymatic activity of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline Binding

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

Protein crystallography data

The structure of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline Binding, PDB code: 3gun 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) 45.54 / 1.50
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 48.698, 48.698, 128.646, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 25.1

Other elements in 3gun:

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

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline Binding (pdb code 3gun). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline Binding, PDB code: 3gun:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3gun

Go back to Chlorine Binding Sites List in 3gun
Chlorine binding site 1 out of 4 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline 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-- Aniline Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl166

b:28.1
occ:1.00
 N A:ALA93 3.1 23.0 1.0
O B:HOH652 3.2 33.2 1.0
O A:HOH732 3.3 32.2 1.0
CB A:ASP92 3.6 21.9 1.0
CA A:ASP92 3.7 22.2 1.0
NH2 B:ARG80 3.7 50.1 1.0
NE B:ARG80 3.8 42.7 1.0
CB A:ALA93 3.8 23.1 1.0
C A:ASP92 3.9 22.5 1.0
CG B:ARG76 3.9 27.3 1.0
CZ B:ARG80 4.1 48.6 1.0
CD1 B:LEU79 4.1 25.6 1.0
CA B:ARG76 4.1 23.4 1.0
CA A:ALA93 4.1 21.8 1.0
CB B:ARG76 4.2 23.9 1.0
CB B:LEU79 4.2 22.8 1.0
CG B:ARG80 4.6 29.1 1.0
CD B:ARG76 4.7 30.7 1.0
O B:ARG76 4.7 24.6 1.0
CG B:LEU79 4.7 23.0 1.0
CD B:ARG80 4.8 36.1 1.0
C B:ARG76 4.9 22.1 1.0
CG A:ASP92 5.0 25.3 1.0

Chlorine binding site 2 out of 4 in 3gun

Go back to Chlorine Binding Sites List in 3gun
Chlorine binding site 2 out of 4 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline 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-- Aniline Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl167

b:45.4
occ:1.00
 N A:ASP144 3.7 32.5 1.0
N A:ARG145 3.8 33.2 1.0
CB A:ASP144 3.9 33.8 1.0
O A:HOH685 3.9 32.9 1.0
OD2 A:ASP144 3.9 41.9 1.0
CD A:ARG145 4.1 38.5 1.0
CB A:ARG145 4.1 36.6 1.0
CA A:ASP144 4.1 33.8 1.0
C A:CYS142 4.2 32.2 1.0
CA A:CYS142 4.3 32.3 1.0
N A:PRO143 4.3 30.5 1.0
CG A:ASP144 4.4 36.3 1.0
C A:ASP144 4.5 33.3 1.0
CD A:PRO143 4.6 29.9 1.0
O A:CYS142 4.6 30.8 1.0
CA A:ARG145 4.6 36.0 1.0
CB A:CYS142 4.6 32.4 1.0
CG A:ARG145 4.6 38.0 1.0
NH1 A:ARG145 4.7 47.0 1.0
C A:PRO143 4.7 32.2 1.0
CG A:PRO143 4.9 28.7 1.0
O A:HOH189 4.9 31.8 1.0

Chlorine binding site 3 out of 4 in 3gun

Go back to Chlorine Binding Sites List in 3gun
Chlorine binding site 3 out of 4 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline 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-- Aniline Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl165

b:28.5
occ:1.00
 N B:ALA93 3.1 22.8 1.0
O A:HOH679 3.3 32.0 1.0
O A:HOH179 3.5 54.3 1.0
CB B:ASP92 3.6 21.7 1.0
CA B:ASP92 3.7 22.1 1.0
NE A:ARG80 3.8 42.4 1.0
CB B:ALA93 3.8 23.3 1.0
NH2 A:ARG80 3.8 50.0 1.0
C B:ASP92 3.9 22.3 1.0
CG A:ARG76 4.0 27.1 1.0
CD1 A:LEU79 4.0 26.1 1.0
CZ A:ARG80 4.1 48.6 1.0
CA B:ALA93 4.1 22.1 1.0
CA A:ARG76 4.1 23.4 1.0
CB A:LEU79 4.1 23.0 1.0
CB A:ARG76 4.2 24.0 1.0
CG A:ARG80 4.6 29.1 1.0
CD A:ARG76 4.7 30.5 1.0
CG A:LEU79 4.7 24.2 1.0
O A:ARG76 4.7 24.5 1.0
CD A:ARG80 4.7 36.4 1.0
C A:ARG76 4.9 22.0 1.0
CG B:ASP92 5.0 25.1 1.0

Chlorine binding site 4 out of 4 in 3gun

Go back to Chlorine Binding Sites List in 3gun
Chlorine binding site 4 out of 4 in the T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of T4 Lysozyme M102E/L99A Mutant with Buried Charge in Apolar Cavity-- Aniline Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl166

b:45.8
occ:1.00
 N B:ASP144 3.8 32.4 1.0
N B:ARG145 3.9 33.1 1.0
O B:HOH188 4.0 32.1 1.0
OD2 B:ASP144 4.0 41.8 1.0
CB B:ASP144 4.0 33.8 1.0
CD B:ARG145 4.0 38.1 1.0
CB B:ARG145 4.2 36.5 1.0
CA B:ASP144 4.2 33.9 1.0
C B:CYS142 4.3 31.9 1.0
CA B:CYS142 4.3 32.1 1.0
N B:PRO143 4.4 30.4 1.0
CG B:ASP144 4.5 36.0 1.0
C B:ASP144 4.6 33.5 1.0
NH1 B:ARG145 4.6 47.3 1.0
CD B:PRO143 4.6 29.9 1.0
CG B:ARG145 4.6 38.3 1.0
CB B:CYS142 4.7 32.4 1.0
O B:CYS142 4.7 31.1 1.0
CA B:ARG145 4.8 36.3 1.0
C B:PRO143 4.8 32.4 1.0
CG B:PRO143 4.9 29.1 1.0

Reference:

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
Page generated: Sat Jul 20 20:31:15 2024

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