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Chlorine in PDB 3a95: Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8

Enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8

All present enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8, PDB code: 3a95 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) 20.57 / 1.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.956, 77.956, 37.305, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 24.3

Other elements in 3a95:

The structure of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8 also contains other interesting chemical elements:

Rhodium (Rh) 6 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 PH3.8 (pdb code 3a95). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8, PDB code: 3a95:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3a95

Go back to Chlorine Binding Sites List in 3a95
Chlorine binding site 1 out of 3 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8


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 PH3.8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl131

b:22.5
occ:1.00
OG A:SER24 3.0 17.9 1.0
N A:GLY26 3.2 12.7 1.0
CB A:SER24 3.4 15.2 1.0
CA A:GLY26 3.5 11.8 1.0
CA A:GLN121 3.6 16.7 1.0
N A:GLN121 3.9 16.7 1.0
CD1 A:ILE124 3.9 24.8 1.0
CB A:GLN121 4.0 17.6 1.0
N A:LEU25 4.2 13.9 1.0
CG2 A:VAL120 4.2 17.1 1.0
O A:VAL120 4.2 16.4 1.0
C A:VAL120 4.2 16.3 1.0
C A:SER24 4.3 14.7 1.0
C A:LEU25 4.3 13.4 1.0
CG1 A:ILE124 4.3 21.4 1.0
CA A:SER24 4.5 14.3 1.0
C A:GLY26 4.5 12.0 1.0
N A:ASN27 4.6 11.8 1.0
O A:SER24 4.7 14.6 1.0
CA A:LEU25 4.7 14.0 1.0
O A:HOH206 4.7 28.0 1.0
C A:GLN121 4.8 16.6 1.0
CB A:VAL120 5.0 16.3 1.0

Chlorine binding site 2 out of 3 in 3a95

Go back to Chlorine Binding Sites List in 3a95
Chlorine binding site 2 out of 3 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8


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 PH3.8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl132

b:17.1
occ:1.00
OH A:TYR23 3.0 12.2 1.0
CZ A:TYR23 3.7 11.0 1.0
CE2 A:TYR23 3.7 10.8 1.0
CA A:GLY104 4.1 13.1 1.0
O A:ARG21 4.5 15.8 1.0
N A:GLY104 4.7 14.2 1.0
CE1 A:TYR23 4.9 11.8 1.0
CD2 A:TYR23 4.9 11.6 1.0

Chlorine binding site 3 out of 3 in 3a95

Go back to Chlorine Binding Sites List in 3a95
Chlorine binding site 3 out of 3 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8


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 PH3.8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl133

b:20.4
occ:1.00
O A:HOH148 3.1 15.1 1.0
N A:THR69 3.2 16.8 1.0
O A:HOH229 3.2 36.2 1.0
O A:THR69 3.2 17.5 1.0
O A:HOH208 3.3 29.5 1.0
ND2 A:ASN65 3.6 15.0 1.0
N A:ARG68 3.6 16.4 1.0
C A:GLY67 3.6 16.7 1.0
C A:THR69 3.6 17.5 1.0
OG A:SER72 3.7 20.0 1.0
CA A:GLY67 3.7 14.9 1.0
N A:GLY67 3.8 15.0 1.0
CA A:THR69 3.8 16.7 1.0
O A:HOH153 4.0 18.5 1.0
O A:GLY67 4.2 17.6 1.0
CB A:THR69 4.2 17.0 1.0
C A:ARG68 4.3 17.4 1.0
OD1 A:ASP66 4.3 13.3 1.0
CA A:ARG68 4.4 17.2 1.0
N A:PRO70 4.5 18.3 1.0
NA A:NA130 4.7 15.4 1.0
C A:ASP66 4.8 14.2 1.0
OG1 A:THR69 4.9 14.3 1.0
CG A:ASN65 4.9 14.6 1.0
N A:ASP66 4.9 12.7 1.0
CB A:SER72 4.9 20.6 1.0
O A:HOH201 4.9 36.7 1.0
CA A:PRO70 5.0 18.6 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 Dec 12 09:31:11 2020

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