Chlorine in PDB 8a9r: Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock

Enzymatic activity of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock

All present enzymatic activity of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock:
3.2.1.17;

Protein crystallography data

The structure of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock, PDB code: 8a9r was solved by P.Van Der Linden, S.Engilberge, M.Atta, P.Carpentier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.00 / 1.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.229, 77.229, 36.763, 90, 90, 90
R / Rfree (%) 16.8 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock (pdb code 8a9r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock, PDB code: 8a9r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 8a9r

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Chlorine binding site 1 out of 7 in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:32.3
occ:1.00
 OG A:SER24 3.0 25.9 1.0
N A:GLY26 3.1 21.0 1.0
CB A:SER24 3.5 26.0 1.0
CA A:GLY26 3.5 20.2 1.0
CA A:GLN121 3.7 29.4 1.0
O A:HOH416 3.8 50.5 1.0
CD1 A:ILE124 3.9 31.5 1.0
N A:LEU25 4.1 21.0 1.0
CB A:GLN121 4.1 33.4 1.0
N A:GLN121 4.1 27.2 1.0
C A:SER24 4.2 23.0 1.0
CG A:GLN121 4.2 43.3 1.0
C A:LEU25 4.2 21.4 1.0
CG1 A:ILE124 4.3 29.7 1.0
CG2 A:VAL120 4.3 26.8 1.0
O A:VAL120 4.3 26.1 1.0
C A:VAL120 4.4 26.3 1.0
CA A:SER24 4.4 23.7 1.0
O A:SER24 4.6 22.9 1.0
CA A:LEU25 4.6 21.3 1.0
C A:GLY26 4.6 19.9 1.0
N A:ASN27 4.7 19.4 1.0
C A:GLN121 4.9 27.1 1.0
CB A:LEU25 4.9 22.6 1.0

Chlorine binding site 2 out of 7 in 8a9r

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Chlorine binding site 2 out of 7 in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:26.1
occ:1.00
 ND2 A:ASN113 3.2 24.5 1.0
CB A:ASN113 3.5 21.9 1.0
CA A:ALA110 3.8 23.9 1.0
CG A:ASN113 3.9 22.7 1.0
O A:VAL109 4.1 24.6 1.0
N A:ALA110 4.2 21.3 1.0
C A:VAL109 4.3 22.8 1.0
CB A:ALA110 4.3 25.1 1.0
CD A:ARG114 4.4 23.5 1.0
CG A:ARG114 4.5 24.0 1.0
CG2 A:VAL109 4.7 34.8 1.0
CA A:ASN113 4.9 20.9 1.0
C A:ALA110 4.9 23.8 1.0
O A:ALA110 4.9 23.4 1.0

Chlorine binding site 3 out of 7 in 8a9r

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Chlorine binding site 3 out of 7 in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:34.5
occ:1.00
 O A:HOH362 3.0 25.0 1.0
O A:HOH411 3.2 42.4 1.0
N A:THR69 3.3 26.9 1.0
O A:THR69 3.3 28.9 1.0
O A:HOH304 3.4 47.7 1.0
N A:ARG68 3.5 25.0 1.0
OG A:SER72 3.5 32.0 1.0
C A:GLY67 3.6 28.4 1.0
CA A:GLY67 3.7 26.5 1.0
OD1 A:ASN65 3.7 27.6 1.0
N A:GLY67 3.7 24.2 1.0
C A:THR69 3.8 29.2 1.0
O A:HOH371 3.8 29.3 1.0
CA A:THR69 3.9 26.4 1.0
CB A:THR69 4.2 27.2 1.0
O A:GLY67 4.2 30.7 1.0
C A:ARG68 4.3 26.5 1.0
OD1 A:ASP66 4.3 23.8 1.0
CA A:ARG68 4.4 27.6 1.0
O A:HOH302 4.6 21.8 1.0
N A:PRO70 4.7 36.6 1.0
CB A:SER72 4.8 35.0 1.0
C A:ASP66 4.8 23.9 1.0
OG1 A:THR69 4.8 27.7 1.0
CG A:ASN65 4.9 24.9 1.0
CL A:CL204 4.9 74.9 0.5
N A:ASP66 4.9 21.8 1.0

Chlorine binding site 4 out of 7 in 8a9r

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Chlorine binding site 4 out of 7 in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:74.9
occ:0.50
 N A:GLY71 2.8 39.3 1.0
O A:HOH411 3.5 42.4 1.0
CA A:GLY71 3.6 40.8 1.0
CA A:PRO70 3.7 37.5 1.0
C A:PRO70 3.7 38.3 1.0
O A:THR69 4.1 28.9 1.0
N A:SER72 4.1 41.0 1.0
C A:GLY71 4.4 44.1 1.0
O A:HOH386 4.4 46.6 1.0
N A:PRO70 4.6 36.6 1.0
CB A:PRO70 4.7 40.0 1.0
C A:THR69 4.8 29.2 1.0
O A:PRO70 4.9 39.1 1.0
CL A:CL203 4.9 34.5 1.0
O A:SER72 4.9 41.0 1.0

Chlorine binding site 5 out of 7 in 8a9r

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Chlorine binding site 5 out of 7 in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:46.0
occ:1.00
 O A:HOH307 2.5 29.6 1.0
O A:LEU83 2.6 25.9 1.0
N A:ILE55 2.7 21.8 1.0
OG A:SER91 3.1 22.7 1.0
CG2 A:ILE55 3.3 29.8 1.0
CA A:GLY54 3.4 19.1 1.0
CB A:ILE55 3.4 29.9 1.0
C A:GLY54 3.5 19.3 1.0
C A:LEU83 3.7 24.8 1.0
CA A:ILE55 3.7 24.3 1.0
CA A:THR40 3.7 19.0 1.0
O A:THR40 3.7 19.6 1.0
CB A:THR40 3.8 20.1 1.0
O A:HOH351 3.9 19.5 1.0
CB A:SER91 4.0 22.6 1.0
CG2 A:THR40 4.1 20.8 1.0
O A:HOH382 4.2 24.2 1.0
C A:THR40 4.3 18.3 1.0
O A:SER85 4.4 27.3 1.0
N A:LEU84 4.5 23.1 1.0
CA A:LEU84 4.5 24.0 1.0
CA A:LEU83 4.6 23.4 1.0
N A:GLY54 4.7 18.8 1.0
O A:GLY54 4.7 18.2 1.0
CG1 A:ILE55 4.8 35.5 1.0
C A:LEU84 4.8 23.3 1.0
C A:ILE55 4.8 22.2 1.0
N A:LEU56 4.9 21.8 1.0
CG2 A:ILE88 4.9 25.0 1.0
N A:THR40 5.0 18.5 1.0

Chlorine binding site 6 out of 7 in 8a9r

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Chlorine binding site 6 out of 7 in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:46.0
occ:1.00
 CE2 A:PHE38 3.7 20.8 1.0
NZ A:LYS33 3.8 30.4 1.0
CZ3 A:TRP123 3.9 29.4 1.0
CD A:ARG5 4.1 30.3 1.0
CE A:LYS33 4.2 29.6 1.0
CB A:ARG5 4.2 28.1 1.0
CD A:LYS33 4.3 27.0 1.0
CZ A:PHE38 4.4 21.3 1.0
O A:HOH398 4.5 52.1 1.0
O A:HOH435 4.5 38.2 0.5
CG A:ARG5 4.6 28.0 1.0
CD2 A:PHE38 4.6 23.7 1.0
NE A:ARG5 4.7 32.4 1.0
CE3 A:TRP123 4.8 26.6 1.0
CH2 A:TRP123 4.8 30.3 1.0

Chlorine binding site 7 out of 7 in 8a9r

Go back to Chlorine Binding Sites List in 8a9r
Chlorine binding site 7 out of 7 in the Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Tetragonal Hen Egg-White (Hew) Lysozyme Soaked in Reduced Resazurin in A Glovebox and Flash-Cooled Using A Miniature-Airlock within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:50.0
occ:1.00
 N A:ILE88 3.2 25.2 1.0
CG1 A:ILE88 3.5 26.8 1.0
NH2 A:ARG14 3.6 34.5 0.5
NH2 A:ARG14 3.9 26.8 0.1
CE1 A:HIS15 3.9 32.5 1.0
CA A:ASP87 3.9 29.6 1.0
C A:ASP87 4.0 25.9 1.0
OD1 A:ASP87 4.0 33.8 1.0
O A:HOH305 4.0 43.8 1.0
CB A:ILE88 4.1 23.3 1.0
NH1 A:ARG14 4.1 31.6 0.4
O A:SER86 4.1 30.6 1.0
CG2 A:ILE88 4.2 25.0 1.0
CA A:ILE88 4.2 23.7 1.0
CB A:ALA11 4.3 23.6 1.0
CZ A:PHE3 4.3 25.5 1.0
NH2 A:ARG14 4.4 33.1 0.4
CD1 A:ILE88 4.4 27.6 1.0
CG A:ASP87 4.7 37.1 1.0
CZ A:ARG14 4.7 36.2 0.5
ND1 A:HIS15 4.7 30.5 1.0
CZ A:ARG14 4.7 32.5 0.4
CE2 A:PHE3 4.8 23.1 1.0
CB A:ASP87 4.8 30.1 1.0
NE2 A:HIS15 4.8 32.2 1.0
N A:THR89 4.8 23.6 1.0
N A:ASP87 4.9 27.1 1.0
C A:ILE88 4.9 22.2 1.0
C A:SER86 4.9 28.6 1.0
CZ A:ARG14 4.9 26.5 0.1
NH1 A:ARG14 4.9 35.6 0.5

Reference:

S.Engilberge, M.Atta, P.Carpentier. A Miniature Airlock System to Aid the Cryo-Cooling of Protein Crystals Grown Under Anoxic Conditions J.Appl.Crystallogr. 2022.
ISSN: ESSN 1600-5767
Page generated: Tue Jul 30 06:32:18 2024

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