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Chlorine in PDB 3atn: Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation

Enzymatic activity of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation

All present enzymatic activity of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation:
3.2.1.17;

Protein crystallography data

The structure of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation, PDB code: 3atn was solved by L.Ito, K.Shiraki, K.Hasegawa, T.Kumasaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.39 / 1.17
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.744, 76.744, 37.078, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 17.4

Other elements in 3atn:

The structure of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation (pdb code 3atn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation, PDB code: 3atn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3atn

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Chlorine binding site 1 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:9.8
occ:0.74
 OH A:TYR23 3.0 8.5 1.0
O A:HOH386 3.1 22.8 1.0
O A:HOH311 3.2 12.3 1.0
CZ A:TYR23 3.7 7.5 1.0
CE2 A:TYR23 3.7 7.7 1.0
CA A:GLY104 4.2 8.8 1.0
O A:ARG21 4.5 11.5 0.5
O A:ARG21 4.5 11.4 0.5
N A:GLY104 4.8 9.4 1.0
CE1 A:TYR23 4.9 7.7 1.0
CD2 A:TYR23 4.9 8.0 1.0
NH2 A:ARG21 5.0 23.4 0.5

Chlorine binding site 2 out of 10 in 3atn

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Chlorine binding site 2 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:13.2
occ:0.69
 OG A:SER24 3.1 12.4 1.0
N A:GLY26 3.1 8.2 1.0
O A:HOH344 3.2 36.6 1.0
CB A:SER24 3.5 11.0 1.0
CA A:GLY26 3.5 9.1 1.0
CA A:GLN121 3.6 12.2 0.4
CA A:GLN121 3.7 12.6 0.6
CB A:GLN121 3.7 13.2 0.4
CG A:GLN121 3.8 16.2 0.4
N A:GLN121 3.9 11.3 0.6
N A:GLN121 3.9 11.3 0.4
CD1 A:ILE124 4.0 19.7 1.0
CB A:GLN121 4.1 14.4 0.6
N A:LEU25 4.2 9.1 1.0
CG2 A:VAL120 4.3 12.3 1.0
C A:VAL120 4.3 10.7 1.0
O A:VAL120 4.3 10.8 1.0
CD A:GLN121 4.3 19.8 0.4
C A:LEU25 4.3 8.0 1.0
C A:SER24 4.3 9.3 1.0
CG A:GLN121 4.4 18.6 0.6
CG1 A:ILE124 4.4 14.5 1.0
NE2 A:GLN121 4.5 21.4 0.4
C A:GLY26 4.5 7.8 1.0
CA A:SER24 4.6 9.9 1.0
N A:ASN27 4.6 7.6 1.0
CA A:LEU25 4.7 9.1 1.0
O A:SER24 4.8 9.6 1.0
O A:HOH446 4.8 35.4 1.0
C A:GLN121 4.9 11.1 0.6
C A:GLN121 4.9 11.3 0.4
CB A:LEU25 5.0 9.8 1.0

Chlorine binding site 3 out of 10 in 3atn

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Chlorine binding site 3 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:17.8
occ:0.56
 O A:HOH308 2.6 18.6 1.0
O A:SER85 2.6 11.0 0.5
O A:SER85 2.8 13.2 0.5
O A:HOH302 2.9 12.6 1.0
CA A:ILE88 3.4 9.9 1.0
O A:ASP87 3.4 10.7 1.0
CG2 A:ILE88 3.5 12.6 1.0
C A:SER85 3.7 12.3 0.5
CG2 A:THR40 3.7 8.9 1.0
C A:ASP87 3.8 11.0 1.0
C A:SER85 3.8 13.2 0.5
O A:LEU83 3.8 12.3 1.0
CB A:ILE88 3.8 10.7 1.0
N A:ILE88 3.8 10.3 1.0
CB A:THR40 3.9 9.0 1.0
OG A:SER85 3.9 16.1 0.5
OG A:SER91 4.0 9.9 1.0
N A:SER85 4.1 11.8 0.5
N A:SER85 4.1 12.6 0.5
CG2 A:ILE55 4.3 11.2 0.4
CA A:SER85 4.3 11.4 0.5
C A:LEU83 4.4 11.5 1.0
CA A:SER85 4.4 13.1 0.5
CB A:SER91 4.4 9.5 1.0
C A:ILE88 4.4 9.2 1.0
C A:LEU84 4.5 11.6 1.0
C A:SER86 4.5 12.2 0.5
O A:SER86 4.6 14.0 0.5
CB A:SER85 4.6 11.9 0.5
N A:ASP87 4.6 12.9 1.0
CG2 A:ILE55 4.6 17.6 0.6
CB A:SER85 4.7 14.3 0.5
C A:SER86 4.7 12.8 0.5
CB A:ILE55 4.7 8.8 0.4
CG1 A:ILE55 4.8 14.2 0.6
O A:ILE88 4.8 9.8 1.0
N A:SER86 4.8 12.5 0.5
N A:SER86 4.8 13.0 0.5
CA A:THR40 4.8 8.0 1.0
N A:LEU84 4.9 11.1 1.0
OG1 A:THR40 4.9 10.5 1.0
CA A:LEU84 4.9 10.7 1.0
CA A:ASP87 4.9 13.5 1.0
O A:LEU84 4.9 12.4 1.0

Chlorine binding site 4 out of 10 in 3atn

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Chlorine binding site 4 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:15.9
occ:0.61
 NH2 A:ARG114 3.0 10.5 1.0
NH1 A:ARG114 3.5 9.9 1.0
O A:HOH335 3.5 18.5 1.0
CZ A:ARG114 3.7 8.9 1.0
O A:HOH355 3.9 21.4 1.0
CD1 A:PHE34 4.4 8.8 1.0
CE1 A:PHE34 4.7 8.6 1.0
NE A:ARG114 5.0 9.4 1.0

Chlorine binding site 5 out of 10 in 3atn

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Chlorine binding site 5 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:20.3
occ:0.61
 NH1 A:ARG68 3.0 12.9 1.0
CD A:ARG68 3.9 12.7 1.0
CZ A:ARG68 4.1 10.5 1.0
NH2 A:ARG45 4.4 19.9 0.4
NE A:ARG68 4.4 12.6 1.0
NH1 A:ARG45 4.8 18.7 0.6

Chlorine binding site 6 out of 10 in 3atn

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Chlorine binding site 6 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:12.0
occ:0.58
 O A:GLN41 2.7 9.6 1.0
OG1 A:THR43 2.8 11.6 1.0
N A:THR43 3.0 8.3 1.0
CB A:THR43 3.5 9.5 1.0
CG2 A:THR43 3.6 9.8 1.0
C A:ALA42 3.6 7.2 1.0
C A:GLN41 3.8 7.6 1.0
CA A:THR43 3.8 8.6 1.0
CA A:ALA42 3.8 7.7 1.0
O A:THR43 4.1 11.9 1.0
N A:ALA42 4.3 7.4 1.0
C A:THR43 4.5 9.7 1.0
O A:ALA42 4.6 7.5 1.0
CA A:GLN41 5.0 7.4 1.0

Chlorine binding site 7 out of 10 in 3atn

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Chlorine binding site 7 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:11.6
occ:0.57
 OG1 A:THR51 2.7 8.1 1.0
OD2 A:ASP66 2.7 8.2 1.0
O A:GLY49 2.9 12.7 1.0
NE A:ARG68 3.0 12.6 1.0
OG1 A:THR69 3.1 10.8 1.0
NE A:ARG45 3.4 18.1 0.6
N A:THR51 3.4 8.2 1.0
CG A:ARG68 3.5 11.1 1.0
C A:SER50 3.5 8.8 1.0
CB A:THR51 3.5 7.4 1.0
CG A:ASP66 3.6 7.7 1.0
CA A:SER50 3.7 10.0 1.0
CD A:ARG68 3.7 12.7 1.0
NH2 A:ARG45 3.8 15.5 0.6
OG A:SER60 3.8 9.9 1.0
CZ A:ARG45 3.9 16.7 0.6
CZ A:ARG68 3.9 10.5 1.0
OD1 A:ASP66 3.9 8.6 1.0
NH2 A:ARG68 3.9 11.5 1.0
C A:GLY49 4.0 11.1 1.0
O A:ARG68 4.0 15.7 1.0
O A:SER50 4.1 9.2 1.0
CA A:THR51 4.1 7.3 1.0
CD A:ARG45 4.1 15.3 0.6
NE A:ARG45 4.2 20.1 0.4
OH A:TYR53 4.3 7.3 1.0
N A:SER50 4.3 10.8 1.0
C A:ARG68 4.4 12.8 1.0
CD A:ARG45 4.4 18.1 0.4
CB A:THR69 4.5 10.9 1.0
CB A:ARG68 4.7 10.8 1.0
N A:THR69 4.8 11.4 1.0
CG2 A:THR51 4.8 8.8 1.0
CB A:SER60 4.8 9.6 1.0
CA A:THR69 4.8 12.1 1.0
CZ A:ARG45 4.8 19.9 0.4
NH1 A:ARG45 4.9 18.7 0.6
CB A:ASP66 4.9 7.8 1.0
CG2 A:THR69 5.0 13.4 1.0
CB A:SER50 5.0 10.4 1.0

Chlorine binding site 8 out of 10 in 3atn

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Chlorine binding site 8 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:9.4
occ:0.59
 O A:HOH423 3.1 21.8 1.0
N A:THR69 3.1 11.4 1.0
O A:HOH317 3.2 10.5 1.0
O A:HOH393 3.2 21.2 1.0
O A:THR69 3.3 13.5 1.0
O A:HOH379 3.3 29.2 1.0
N A:ARG68 3.5 10.4 1.0
OG A:SER72 3.6 15.2 1.0
C A:GLY67 3.6 10.8 1.0
C A:THR69 3.6 12.4 1.0
CA A:GLY67 3.6 10.3 1.0
N A:GLY67 3.7 9.6 1.0
OD1 A:ASN65 3.7 11.8 1.0
CA A:THR69 3.8 12.1 1.0
O A:HOH320 3.9 15.3 1.0
O A:GLY67 4.1 13.7 1.0
CB A:THR69 4.1 10.9 1.0
C A:ARG68 4.2 12.8 1.0
OD1 A:ASP66 4.3 8.6 1.0
CA A:ARG68 4.3 11.8 1.0
N A:PRO70 4.5 14.9 1.0
NA A:NA211 4.7 6.9 0.5
OG1 A:THR69 4.8 10.8 1.0
C A:ASP66 4.8 8.9 1.0
CL A:CL209 4.8 22.1 0.3
CB A:SER72 4.8 14.8 1.0
N A:ASP66 4.9 7.9 1.0
CG A:ASN65 4.9 11.2 1.0
CA A:PRO70 5.0 16.1 1.0

Chlorine binding site 9 out of 10 in 3atn

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Chlorine binding site 9 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:22.1
occ:0.35
 N A:GLY71 2.8 16.4 1.0
O A:HOH393 2.8 21.2 1.0
O A:HOH423 3.5 21.8 1.0
CA A:GLY71 3.6 17.7 1.0
CA A:PRO70 3.8 16.1 1.0
C A:PRO70 3.8 17.0 1.0
N A:SER72 4.2 16.9 1.0
C A:GLY71 4.2 15.6 1.0
O A:THR69 4.3 13.5 1.0
O A:SER72 4.7 17.3 1.0
CB A:PRO70 4.7 20.4 1.0
N A:PRO70 4.8 14.9 1.0
CL A:CL208 4.8 9.4 0.6
O A:PRO70 4.9 20.5 1.0
C A:THR69 4.9 12.4 1.0

Chlorine binding site 10 out of 10 in 3atn

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Chlorine binding site 10 out of 10 in the Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:13.1
occ:0.59
 OG A:SER91 2.8 9.9 1.0
O A:TYR53 2.9 7.9 1.0
N A:LEU56 2.9 9.5 1.0
N A:ILE55 3.2 7.3 0.4
N A:ILE55 3.3 8.9 0.6
C A:GLY54 3.4 7.3 1.0
CA A:GLY54 3.5 7.7 1.0
CB A:SER91 3.5 9.5 1.0
N A:GLN57 3.6 8.9 1.0
CA A:LEU56 3.6 9.9 1.0
C A:LEU56 3.7 9.8 1.0
CD1 A:ILE58 3.8 14.8 1.0
O A:HOH308 3.8 18.6 1.0
CB A:LEU56 3.8 10.0 1.0
CG1 A:ILE58 3.8 12.3 1.0
CG2 A:ILE55 3.8 11.2 0.4
C A:TYR53 3.9 7.6 1.0
C A:ILE55 3.9 8.0 0.4
C A:ILE55 4.0 9.9 0.6
O A:GLY54 4.0 8.0 1.0
CA A:ILE55 4.0 8.4 0.4
N A:ILE58 4.1 8.7 1.0
CG1 A:ILE55 4.1 14.2 0.6
CA A:ILE55 4.1 11.0 0.6
N A:GLY54 4.2 7.2 1.0
O A:LEU83 4.2 12.3 1.0
CB A:ILE58 4.2 10.3 1.0
CB A:LEU83 4.4 13.0 1.0
CA A:SER91 4.5 9.1 1.0
CB A:ILE55 4.6 8.8 0.4
CA A:GLN57 4.6 8.1 1.0
CD2 A:LEU83 4.6 19.9 1.0
O A:LEU56 4.6 10.9 1.0
CB A:ILE55 4.8 13.5 0.6
CG A:LEU56 4.8 10.6 1.0
CA A:ILE58 4.8 9.1 1.0
C A:GLN57 4.8 8.8 1.0
CG A:LEU83 4.9 13.9 1.0
CD1 A:LEU83 5.0 14.4 1.0

Reference:

L.Ito, K.Shiraki, K.Hasegawa, T.Kumasaka. Glycine Ethyl Ester Shielding on the Aromatic Surfaces of Lysozyme: Implication For Suppression of Protein Aggregation To Be Published.
Page generated: Sat Jul 20 16:03:33 2024

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