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Chlorine in PDB 3a90: Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3

Enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3

All present enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3, PDB code: 3a90 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) 21.42 / 1.45
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.743, 78.743, 37.048, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 21

Other elements in 3a90:

The structure of Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3 (pdb code 3a90). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3, PDB code: 3a90:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3a90

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Chlorine binding site 1 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3


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 1MM RHCL3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl131

b:14.7
occ:1.00
 OH A:TYR23 3.0 11.9 1.0
O A:HOH148 3.2 13.8 1.0
CZ A:TYR23 3.7 10.3 1.0
CE2 A:TYR23 3.7 10.0 1.0
CA A:GLY104 4.1 11.4 1.0
O A:ARG21 4.6 13.1 1.0
N A:GLY104 4.7 12.1 1.0
CE1 A:TYR23 4.9 9.7 1.0
CD2 A:TYR23 4.9 9.3 1.0

Chlorine binding site 2 out of 7 in 3a90

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Chlorine binding site 2 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3


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 1MM RHCL3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl132

b:17.3
occ:1.00
 O A:HOH253 3.1 26.7 1.0
N A:THR69 3.1 13.5 1.0
O A:HOH229 3.2 30.0 1.0
O A:HOH143 3.2 13.8 1.0
O A:THR69 3.3 15.0 1.0
O A:HOH185 3.3 29.2 1.0
N A:ARG68 3.5 13.6 1.0
C A:GLY67 3.5 14.1 1.0
C A:THR69 3.6 14.6 1.0
CA A:GLY67 3.6 13.1 1.0
OG A:SER72 3.7 17.6 1.0
N A:GLY67 3.7 12.8 1.0
ND2 A:ASN65 3.7 11.8 1.0
CA A:THR69 3.8 13.8 1.0
O A:HOH161 3.9 16.1 1.0
O A:GLY67 4.2 15.0 1.0
C A:ARG68 4.2 14.1 1.0
CB A:THR69 4.2 13.3 1.0
CA A:ARG68 4.2 13.8 1.0
OD1 A:ASP66 4.3 10.8 1.0
N A:PRO70 4.5 15.9 1.0
NA A:NA130 4.7 15.0 1.0
O A:HOH169 4.8 17.8 0.5
C A:ASP66 4.8 11.6 1.0
OG1 A:THR69 4.8 12.7 1.0
N A:ASP66 4.9 10.3 1.0
CB A:SER72 4.9 18.0 1.0

Chlorine binding site 3 out of 7 in 3a90

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Chlorine binding site 3 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3


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 1MM RHCL3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl133

b:19.8
occ:1.00
 O A:HOH254 2.9 40.2 1.0
OG A:SER24 3.0 15.4 1.0
N A:GLY26 3.1 12.6 1.0
CB A:SER24 3.5 13.3 1.0
CA A:GLY26 3.5 11.6 1.0
CA A:GLN121 3.6 15.9 1.0
CB A:GLN121 3.8 17.3 1.0
CD1 A:ILE124 3.9 22.4 1.0
N A:GLN121 4.0 14.9 1.0
N A:LEU25 4.2 13.6 1.0
CG1 A:ILE124 4.2 18.8 1.0
O A:VAL120 4.3 13.6 1.0
C A:VAL120 4.3 13.9 1.0
CG2 A:VAL120 4.3 13.8 1.0
C A:LEU25 4.3 13.1 1.0
C A:SER24 4.4 13.2 1.0
C A:GLY26 4.5 11.0 1.0
CA A:SER24 4.6 13.1 1.0
N A:ASN27 4.7 10.7 1.0
CA A:LEU25 4.7 13.2 1.0
C A:GLN121 4.8 14.8 1.0
O A:SER24 4.8 14.2 1.0
O A:HOH244 4.9 29.1 1.0

Chlorine binding site 4 out of 7 in 3a90

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Chlorine binding site 4 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3


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 1MM RHCL3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl134

b:26.4
occ:1.00
 O A:HOH255 3.5 35.6 1.0
NZ A:LYS33 3.7 20.3 1.0
CE2 A:PHE38 3.7 12.7 1.0
CZ3 A:TRP123 4.0 14.8 1.0
CE A:LYS33 4.0 17.6 1.0
CD A:LYS33 4.2 13.6 1.0
CD A:ARG5 4.3 18.1 1.0
CB A:ARG5 4.3 15.6 1.0
CZ A:PHE38 4.4 11.3 1.0
O3 A:GOL139 4.4 34.8 1.0
CD2 A:PHE38 4.6 12.2 1.0
CG A:ARG5 4.7 17.0 1.0
CE3 A:TRP123 4.8 14.7 1.0
CH2 A:TRP123 4.8 14.4 1.0
NE A:ARG5 4.9 19.6 1.0

Chlorine binding site 5 out of 7 in 3a90

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Chlorine binding site 5 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl135

b:24.8
occ:1.00
 O A:HOH157 3.0 22.9 1.0
OD1 A:ASN65 3.2 17.3 1.0
O A:HOH262 3.4 39.0 1.0
CB A:PRO79 3.7 12.6 1.0
CA A:PRO79 3.8 12.7 1.0
CB A:ASN65 3.8 11.5 1.0
CG A:ASN65 3.9 13.0 1.0
N A:PRO79 4.0 13.1 1.0
CD A:PRO79 4.3 13.3 1.0
O A:ASN65 4.3 10.5 1.0
CG A:PRO79 4.5 13.9 1.0
C A:ILE78 4.5 13.6 1.0
O A:ILE78 4.7 13.5 1.0
ND2 A:ASN74 4.8 15.1 1.0
CA A:ASN65 4.9 11.0 1.0
C A:ASN65 4.9 10.9 1.0

Chlorine binding site 6 out of 7 in 3a90

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Chlorine binding site 6 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl136

b:27.3
occ:1.00
 O A:HOH271 2.7 35.5 1.0
O A:HOH187 3.3 31.9 1.0
N A:ILE88 3.3 14.2 1.0
O A:HOH213 3.4 26.9 1.0
CG1 A:ILE88 3.6 14.6 1.0
CA A:ASP87 3.8 15.4 1.0
NE2 A:HIS15 3.9 22.8 1.0
O A:SER86 4.0 17.0 1.0
C A:ASP87 4.1 14.9 1.0
OD1 A:ASP87 4.2 18.7 1.0
CG2 A:ILE88 4.2 14.7 1.0
CB A:ILE88 4.2 13.6 1.0
CZ A:PHE3 4.3 14.2 1.0
CA A:ILE88 4.3 13.9 1.0
CB A:ALA11 4.3 14.9 1.0
CD1 A:ILE88 4.5 15.4 1.0
CD2 A:HIS15 4.6 20.4 1.0
CG A:ASP87 4.7 19.1 1.0
O A:HOH228 4.7 37.6 1.0
CB A:ASP87 4.8 16.6 1.0
CE1 A:HIS15 4.8 21.3 1.0
N A:ASP87 4.8 15.3 1.0
C A:SER86 4.8 16.1 1.0
CE2 A:PHE3 4.8 12.3 1.0

Chlorine binding site 7 out of 7 in 3a90

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Chlorine binding site 7 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Hen Egg White Lysozyme Soaked with 1MM RHCL3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl137

b:33.3
occ:1.00
 N A:ASN74 3.1 14.8 1.0
NE A:ARG73 3.3 22.6 1.0
C A:ASN74 3.7 14.6 1.0
CB A:ARG73 3.7 15.7 1.0
O A:ASN74 3.8 14.3 1.0
CA A:ASN74 3.8 14.5 1.0
CA A:ARG73 4.0 15.8 1.0
CD A:ARG73 4.0 20.2 1.0
C A:ARG73 4.0 15.5 1.0
N A:LEU75 4.1 14.1 1.0
CD2 A:LEU75 4.2 17.9 1.0
CB A:ASN74 4.2 14.9 1.0
CZ A:ARG73 4.2 22.5 1.0
NH2 A:ARG73 4.2 23.8 1.0
CG A:ARG73 4.4 17.4 1.0
CA A:LEU75 4.6 15.2 1.0
CG A:LEU75 4.8 16.2 1.0
O A:HOH259 4.9 36.2 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 15:45:59 2024

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