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Chlorine in PDB 3txh: Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant

Enzymatic activity of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant

All present enzymatic activity of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant:
3.2.1.17;

Protein crystallography data

The structure of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant, PDB code: 3txh was solved by S.W.M.Tanley, A.M.M.Schreurs, J.R.Helliwell, L.M.J.Kroon-Batenburg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.75 / 1.69
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.847, 78.847, 37.036, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 23.3

Other elements in 3txh:

The structure of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant also contains other interesting chemical elements:

Platinum (Pt) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant (pdb code 3txh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant, PDB code: 3txh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3txh

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Chlorine binding site 1 out of 7 in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:11.6
occ:1.00
 OH A:TYR23 3.0 6.7 1.0
O A:HOH2028 3.4 8.6 1.0
CZ A:TYR23 3.7 6.1 1.0
CE2 A:TYR23 3.7 5.8 1.0
CA A:GLY104 4.1 7.2 1.0
O A:ARG21 4.6 7.5 1.0
N A:GLY104 4.8 8.4 1.0
CE1 A:TYR23 4.9 6.0 1.0

Chlorine binding site 2 out of 7 in 3txh

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Chlorine binding site 2 out of 7 in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:15.4
occ:1.00
 OG A:SER24 2.9 9.4 1.0
C2 A:DMS139 3.0 54.3 1.0
N A:GLY26 3.2 6.6 1.0
CB A:SER24 3.4 9.0 1.0
CA A:GLY26 3.5 6.6 1.0
CA A:GLN121 3.6 12.1 1.0
CB A:GLN121 3.9 15.6 1.0
CD1 A:ILE124 4.0 25.6 1.0
N A:GLN121 4.0 10.6 1.0
CG A:GLN121 4.1 22.8 1.0
N A:LEU25 4.2 7.6 1.0
CG1 A:ILE124 4.3 13.2 1.0
C A:SER24 4.3 8.2 1.0
C A:VAL120 4.3 9.4 1.0
C A:LEU25 4.3 7.5 1.0
CG2 A:VAL120 4.3 13.9 1.0
O A:VAL120 4.4 8.6 1.0
S A:DMS139 4.5 57.3 1.0
CA A:SER24 4.5 7.7 1.0
C A:GLY26 4.6 5.6 1.0
N A:ASN27 4.6 5.5 1.0
O A:SER24 4.7 6.3 1.0
CA A:LEU25 4.8 6.1 1.0
O A:DMS139 4.8 55.2 1.0
C A:GLN121 4.9 11.7 1.0
CB A:LEU25 5.0 7.9 1.0

Chlorine binding site 3 out of 7 in 3txh

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Chlorine binding site 3 out of 7 in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:10.4
occ:1.00
 N A:THR69 3.2 8.6 1.0
O A:HOH2077 3.2 2.4 1.0
O A:THR69 3.3 8.9 1.0
OG A:SER72 3.5 14.4 1.0
N A:ARG68 3.6 8.8 1.0
C A:GLY67 3.6 9.6 1.0
C A:THR69 3.6 8.1 1.0
N A:GLY67 3.6 7.5 1.0
O A:HOH2075 3.7 22.7 1.0
CA A:GLY67 3.7 8.1 1.0
OD1 A:ASN65 3.7 13.3 1.0
CA A:THR69 3.8 7.2 1.0
O A:HOH2082 4.0 8.4 1.0
CB A:THR69 4.1 7.0 1.0
C A:ARG68 4.2 10.5 1.0
O A:GLY67 4.2 11.0 1.0
OD1 A:ASP66 4.2 8.2 1.0
CA A:ARG68 4.3 10.4 1.0
N A:PRO70 4.5 9.8 1.0
NA A:NA1138 4.6 9.8 1.0
CB A:SER72 4.7 14.1 1.0
C A:ASP66 4.8 5.5 1.0
OG1 A:THR69 4.8 7.5 1.0
N A:ASP66 4.9 6.4 1.0
CG A:ASN65 4.9 12.1 1.0
O A:HOH2081 4.9 8.9 0.5
CA A:PRO70 5.0 8.7 1.0

Chlorine binding site 4 out of 7 in 3txh

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Chlorine binding site 4 out of 7 in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:28.1
occ:1.00
 O2 A:GOL136 3.3 42.5 1.0
C3 A:GOL136 3.5 35.4 1.0
CE2 A:PHE38 3.6 10.6 1.0
NZ A:LYS33 3.7 14.9 1.0
CZ3 A:TRP123 3.9 13.6 1.0
C2 A:GOL136 3.9 41.2 1.0
O3 A:GOL136 4.1 32.3 1.0
CE A:LYS33 4.1 12.4 1.0
CD A:LYS33 4.1 8.1 1.0
CD A:ARG5 4.3 15.1 1.0
CB A:ARG5 4.3 11.5 1.0
CZ A:PHE38 4.3 8.1 1.0
CD2 A:PHE38 4.5 8.0 1.0
C1 A:GOL136 4.5 42.0 1.0
O A:HOH2007 4.5 28.1 1.0
CG A:ARG5 4.6 11.8 1.0
CE3 A:TRP123 4.8 11.0 1.0
CH2 A:TRP123 4.8 13.3 1.0
C1 A:DMS133 4.9 48.7 1.0
NE A:ARG5 4.9 14.8 1.0

Chlorine binding site 5 out of 7 in 3txh

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Chlorine binding site 5 out of 7 in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:23.1
occ:1.00
 O A:HOH2085 3.1 11.8 1.0
ND2 A:ASN65 3.2 14.3 1.0
CB A:PRO79 3.6 10.0 1.0
CA A:PRO79 3.7 6.8 1.0
CB A:ASN65 3.8 8.1 1.0
N A:PRO79 3.9 8.2 1.0
CG A:ASN65 4.0 12.1 1.0
CD A:PRO79 4.3 10.6 1.0
O A:ASN65 4.3 6.5 1.0
CG A:PRO79 4.4 12.3 1.0
C A:ILE78 4.5 8.6 1.0
O A:ILE78 4.6 10.7 1.0
ND2 A:ASN74 4.8 8.9 1.0
CA A:ASN65 4.9 7.7 1.0
C A:ASN65 4.9 7.1 1.0
O A:HOH2088 5.0 31.6 1.0

Chlorine binding site 6 out of 7 in 3txh

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Chlorine binding site 6 out of 7 in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:27.9
occ:1.00
 N A:ASN74 3.1 11.5 1.0
NE A:ARG73 3.3 24.1 1.0
C A:ASN74 3.6 8.7 1.0
O A:ASN74 3.7 11.8 1.0
CA A:ASN74 3.8 8.6 1.0
CB A:ARG73 3.8 14.7 1.0
CD A:ARG73 3.9 18.9 1.0
CA A:ARG73 4.0 13.0 1.0
C A:ARG73 4.0 12.9 1.0
CB A:ASN74 4.1 8.7 1.0
CD2 A:LEU75 4.1 16.8 1.0
N A:LEU75 4.2 9.3 1.0
CZ A:ARG73 4.2 24.9 1.0
NH2 A:ARG73 4.4 27.1 1.0
CG A:ARG73 4.5 17.7 1.0
CA A:LEU75 4.5 9.8 1.0
CG A:LEU75 4.8 13.3 1.0

Chlorine binding site 7 out of 7 in 3txh

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Chlorine binding site 7 out of 7 in the Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Hewl Co-Crystallization with Carboplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:31.0
occ:1.00
 NH1 A:ARG68 2.8 22.0 1.0
CD A:ARG68 3.5 11.5 1.0
O2 A:GOL151 3.6 59.9 1.0
CZ A:ARG68 3.9 18.1 1.0
NE A:ARG68 4.1 17.4 1.0
O3 A:GOL151 4.2 60.6 1.0
C2 A:GOL151 4.3 59.3 1.0
O3 A:GOL146 4.5 44.8 1.0
C3 A:GOL151 4.5 60.3 1.0
CG A:ARG68 4.7 10.0 1.0
NH1 A:ARG45 4.8 27.2 1.0
CB A:ARG68 4.8 9.4 1.0

Reference:

S.W.Tanley, A.M.Schreurs, J.R.Helliwell, L.M.Kroon-Batenburg. Experience with Exchange and Archiving of Raw Data: Comparison of Data From Two Diffractometers and Four Software Packages on A Series of Lysozyme Crystals. J.Appl.Crystallogr. V. 46 108 2013.
ISSN: ISSN 0021-8898
PubMed: 23396873
DOI: 10.1107/S0021889812044172
Page generated: Wed Oct 28 11:27:04 2020

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