Atomistry » Chlorine » PDB 3gjx-3gwu » 3gun
Atomistry »
  Chlorine »
    PDB 3gjx-3gwu »
      3gun »

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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy