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Chlorine in PDB 3a96: Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2

Enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2

All present enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2, PDB code: 3a96 was solved by S.Abe, T.Koshiyama, T.Ohki, T.Hikage, Y.Watanabe, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.38 / 1.75
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.967, 77.967, 37.140, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 22.5

Other elements in 3a96:

The structure of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2 also contains other interesting chemical elements:

Rhodium (Rh) 4 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2 (pdb code 3a96). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2, PDB code: 3a96:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3a96

Go back to Chlorine Binding Sites List in 3a96
Chlorine binding site 1 out of 4 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl131

b:20.5
occ:1.00
 OH A:TYR23 2.9 13.5 1.0
O A:HOH148 3.3 19.2 1.0
CZ A:TYR23 3.6 15.5 1.0
CE2 A:TYR23 3.7 14.9 1.0
CA A:GLY104 4.1 14.1 1.0
O A:ARG21 4.6 17.1 1.0
N A:GLY104 4.7 15.4 1.0
CE1 A:TYR23 4.8 14.6 1.0
CD2 A:TYR23 5.0 13.5 1.0

Chlorine binding site 2 out of 4 in 3a96

Go back to Chlorine Binding Sites List in 3a96
Chlorine binding site 2 out of 4 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl132

b:23.0
occ:1.00
 O A:HOH140 3.1 15.8 1.0
O A:HOH176 3.1 27.8 1.0
N A:THR69 3.2 17.4 1.0
O A:THR69 3.3 18.2 1.0
N A:ARG68 3.5 16.4 1.0
ND2 A:ASN65 3.6 14.5 1.0
C A:GLY67 3.6 17.1 1.0
OG A:SER72 3.6 23.9 1.0
CA A:GLY67 3.6 16.2 1.0
C A:THR69 3.7 18.4 1.0
N A:GLY67 3.7 15.5 1.0
CA A:THR69 3.9 17.6 1.0
O A:HOH191 4.0 18.2 1.0
O A:GLY67 4.2 17.8 1.0
C A:ARG68 4.2 17.3 1.0
CB A:THR69 4.3 17.2 1.0
CA A:ARG68 4.3 17.9 1.0
OD1 A:ASP66 4.4 15.6 1.0
N A:PRO70 4.5 20.4 1.0
NA A:NA130 4.6 21.3 1.0
O A:HOH169 4.8 27.3 0.5
C A:ASP66 4.8 15.2 1.0
OG1 A:THR69 4.8 16.2 1.0
CG A:ASN65 4.9 16.9 1.0
N A:ASP66 4.9 13.8 1.0
CB A:SER72 4.9 22.7 1.0

Chlorine binding site 3 out of 4 in 3a96

Go back to Chlorine Binding Sites List in 3a96
Chlorine binding site 3 out of 4 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl133

b:24.6
occ:1.00
 OG A:SER24 3.1 18.9 1.0
N A:GLY26 3.2 14.9 1.0
CA A:GLY26 3.5 15.5 1.0
CB A:SER24 3.5 18.2 1.0
CA A:GLN121 3.6 20.2 1.0
CD1 A:ILE124 3.9 24.1 1.0
N A:GLN121 3.9 18.9 1.0
CB A:GLN121 4.0 20.9 1.0
CG2 A:VAL120 4.1 17.4 1.0
CG A:GLN121 4.2 25.5 1.0
O A:VAL120 4.2 17.6 1.0
C A:VAL120 4.2 17.7 1.0
N A:LEU25 4.3 16.4 1.0
C A:SER24 4.3 17.2 1.0
CG1 A:ILE124 4.4 22.7 1.0
C A:LEU25 4.4 15.8 1.0
C A:GLY26 4.6 14.7 1.0
CA A:SER24 4.6 17.2 1.0
N A:ASN27 4.7 14.8 1.0
O A:SER24 4.7 16.2 1.0
CA A:LEU25 4.8 16.1 1.0
C A:GLN121 4.8 19.7 1.0
CB A:VAL120 4.9 17.8 1.0

Chlorine binding site 4 out of 4 in 3a96

Go back to Chlorine Binding Sites List in 3a96
Chlorine binding site 4 out of 4 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH2.2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl134

b:39.2
occ:1.00
 NZ A:LYS33 3.6 21.8 1.0
CE2 A:PHE38 3.7 15.5 1.0
CZ3 A:TRP123 4.0 21.3 1.0
CE A:LYS33 4.0 19.9 1.0
CD A:LYS33 4.2 17.1 1.0
CD A:ARG5 4.3 22.7 1.0
CB A:ARG5 4.3 20.9 1.0
CZ A:PHE38 4.5 17.4 1.0
CD2 A:PHE38 4.7 16.1 1.0
CG A:ARG5 4.8 20.9 1.0
CH2 A:TRP123 4.8 20.6 1.0
CE3 A:TRP123 4.8 20.6 1.0
NE A:ARG5 4.9 25.9 1.0

Reference:

T.Ueno, S.Abe, T.Koshiyama, T.Ohki, T.Hikage, Y.Watanabe. Elucidation of Metal-Ion Accumulation Induced By Hydrogen Bonds on Protein Surfaces By Using Porous Lysozyme Crystals Containing Rh(III) Ions As the Model Surfaces Chemistry V. 16 2730 2010.
ISSN: ISSN 0947-6539
PubMed: 20146274
DOI: 10.1002/CHEM.200903269
Page generated: Sat Jul 20 15:48:45 2024

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