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

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

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

Protein crystallography data

The structure of Hewl Co-Crystallization with Cisplatin in Dmso Media with Glycerol As the Cryoprotectant, PDB code: 3txf 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) 55.47 / 1.69
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.443, 78.443, 36.971, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 24.9

Other elements in 3txf:

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

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Glycerol As the Cryoprotectant (pdb code 3txf). 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 Cisplatin in Dmso Media with Glycerol As the Cryoprotectant, PDB code: 3txf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3txf

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Chlorine binding site 1 out of 7 in the Hewl Co-Crystallization with Cisplatin 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 Cisplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:10.7
occ:1.00
 OH A:TYR23 3.0 8.9 1.0
O A:HOH2028 3.4 8.4 1.0
C1 A:DMS133 3.5 84.2 1.0
CZ A:TYR23 3.7 10.2 1.0
CE2 A:TYR23 3.7 10.2 1.0
CA A:GLY104 4.1 10.8 1.0
O A:ARG21 4.6 10.7 1.0
N A:GLY104 4.7 12.1 1.0
S A:DMS133 4.7 84.8 1.0
O3 A:GOL141 4.8 46.8 1.0
C2 A:DMS133 4.9 83.8 1.0
CE1 A:TYR23 4.9 7.8 1.0

Chlorine binding site 2 out of 7 in 3txf

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Chlorine binding site 2 out of 7 in the Hewl Co-Crystallization with Cisplatin 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 Cisplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:17.6
occ:1.00
 O1 A:GOL156 2.6 62.2 1.0
OG A:SER24 3.0 12.3 1.0
N A:GLY26 3.1 10.1 1.0
O2 A:GOL146 3.2 94.2 1.0
C1 A:GOL156 3.3 64.6 1.0
C2 A:GOL156 3.4 65.2 1.0
CB A:SER24 3.5 11.3 1.0
CA A:GLY26 3.5 10.8 1.0
CA A:GLN121 3.6 15.7 1.0
C3 A:GOL146 3.7 95.5 1.0
C3 A:GOL156 3.7 64.8 1.0
CD1 A:ILE124 3.8 26.2 1.0
CB A:GLN121 4.0 18.5 1.0
N A:GLN121 4.0 14.6 1.0
C2 A:GOL146 4.1 95.3 1.0
N A:LEU25 4.2 11.2 1.0
CG A:GLN121 4.2 25.1 1.0
C A:LEU25 4.3 11.1 1.0
C A:SER24 4.3 9.1 1.0
CG1 A:ILE124 4.3 14.0 1.0
C A:VAL120 4.3 14.1 1.0
CG2 A:VAL120 4.4 15.0 1.0
O A:VAL120 4.4 12.6 1.0
CA A:SER24 4.5 9.6 1.0
C A:GLY26 4.5 11.0 1.0
N A:ASN27 4.6 9.7 1.0
O2 A:GOL156 4.6 65.4 1.0
O3 A:GOL146 4.6 96.4 1.0
CA A:LEU25 4.7 9.0 1.0
O A:SER24 4.7 9.0 1.0
C1 A:GOL146 4.8 95.3 1.0
C A:GLN121 4.8 14.4 1.0
CB A:LEU25 4.9 10.5 1.0

Chlorine binding site 3 out of 7 in 3txf

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Chlorine binding site 3 out of 7 in the Hewl Co-Crystallization with Cisplatin 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 Cisplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:12.6
occ:1.00
 C1 A:DMS148 2.3 36.2 1.0
O A:HOH2029 3.0 14.2 1.0
C1 A:DMS153 3.0 0.1 1.0
N A:THR69 3.2 11.0 1.0
S A:DMS148 3.3 23.9 1.0
O A:DMS148 3.4 33.1 1.0
O A:THR69 3.4 12.9 1.0
C A:GLY67 3.4 11.5 1.0
N A:ARG68 3.5 10.9 1.0
CA A:GLY67 3.6 10.3 1.0
O A:HOH2075 3.6 21.4 1.0
N A:GLY67 3.7 11.3 1.0
OG A:SER72 3.7 16.2 1.0
C A:THR69 3.7 13.3 1.0
OD1 A:ASN65 3.8 15.6 1.0
CA A:THR69 3.9 11.9 1.0
O A:GLY67 4.0 13.0 1.0
C A:ARG68 4.2 13.5 1.0
CA A:ARG68 4.2 13.3 1.0
O A:DMS153 4.3 1.0 1.0
CB A:THR69 4.3 12.4 1.0
S A:DMS153 4.4 0.1 1.0
OD1 A:ASP66 4.5 8.9 1.0
N A:PRO70 4.5 13.8 1.0
O A:HOH2081 4.6 7.1 0.5
C A:ASP66 4.8 9.8 1.0
OG1 A:THR69 4.9 11.0 1.0
C2 A:DMS148 4.9 36.2 1.0
CB A:SER72 4.9 18.6 1.0
CA A:PRO70 4.9 13.7 1.0
NA A:NA1138 5.0 13.8 1.0
CG A:ASN65 5.0 13.7 1.0

Chlorine binding site 4 out of 7 in 3txf

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Chlorine binding site 4 out of 7 in the Hewl Co-Crystallization with Cisplatin 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 Cisplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:25.8
occ:1.00
 O A:DMS135 2.3 47.3 1.0
O1 A:GOL159 3.2 47.0 1.0
C1 A:GOL159 3.4 52.5 1.0
CE2 A:PHE38 3.6 12.7 1.0
CZ3 A:TRP123 3.8 17.3 1.0
NZ A:LYS33 3.9 16.0 1.0
C1 A:DMS131 3.9 53.0 1.0
CE A:LYS33 4.0 18.4 1.0
CD A:ARG5 4.0 15.6 1.0
S A:DMS155 4.0 0.1 1.0
S A:DMS135 4.0 48.3 1.0
C2 A:DMS155 4.1 0.9 1.0
CD A:LYS33 4.1 13.0 1.0
O A:DMS155 4.2 0.0 1.0
CB A:ARG5 4.2 15.2 1.0
C3 A:GOL159 4.3 53.8 1.0
CZ A:PHE38 4.3 10.8 1.0
C2 A:GOL159 4.4 53.4 1.0
CD2 A:PHE38 4.5 11.7 1.0
CG A:ARG5 4.5 17.3 1.0
NE A:ARG5 4.7 17.0 1.0
CE3 A:TRP123 4.7 12.9 1.0
CH2 A:TRP123 4.7 15.8 1.0
O3 A:GOL163 4.9 0.9 1.0

Chlorine binding site 5 out of 7 in 3txf

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Chlorine binding site 5 out of 7 in the Hewl Co-Crystallization with Cisplatin 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 Cisplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:28.3
occ:1.00
 O A:HOH2085 3.2 13.9 1.0
ND2 A:ASN65 3.2 18.3 1.0
CB A:PRO79 3.6 12.0 1.0
CA A:PRO79 3.7 10.7 1.0
CB A:ASN65 3.8 10.5 1.0
N A:PRO79 3.9 12.4 1.0
CG A:ASN65 4.0 13.7 1.0
O A:ASN65 4.3 9.4 1.0
CG A:PRO79 4.3 14.0 1.0
CD A:PRO79 4.3 13.1 1.0
C A:ILE78 4.5 12.3 1.0
O A:ILE78 4.6 12.8 1.0
C A:ASN65 4.8 9.1 1.0
CA A:ASN65 4.8 9.8 1.0
ND2 A:ASN74 4.9 10.3 1.0

Chlorine binding site 6 out of 7 in 3txf

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Chlorine binding site 6 out of 7 in the Hewl Co-Crystallization with Cisplatin 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 Cisplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:36.6
occ:1.00
 N A:ASN74 3.1 13.8 1.0
NE A:ARG73 3.3 27.3 1.0
C A:ASN74 3.7 12.9 1.0
O A:ASN74 3.7 12.7 1.0
CB A:ARG73 3.8 18.7 1.0
CA A:ARG73 3.9 16.1 1.0
CA A:ASN74 3.9 12.9 1.0
C A:ARG73 4.0 16.1 1.0
CD2 A:LEU75 4.0 20.6 1.0
CD A:ARG73 4.1 21.0 1.0
CB A:ASN74 4.2 13.5 1.0
CZ A:ARG73 4.2 27.7 1.0
N A:LEU75 4.3 12.2 1.0
NH2 A:ARG73 4.3 30.4 1.0
CG A:ARG73 4.5 19.3 1.0
CA A:LEU75 4.5 13.8 1.0
CG A:LEU75 4.8 18.0 1.0

Chlorine binding site 7 out of 7 in 3txf

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Chlorine binding site 7 out of 7 in the Hewl Co-Crystallization with Cisplatin 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 Cisplatin in Dmso Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:42.1
occ:1.00
 NH1 A:ARG68 2.8 22.7 1.0
CD A:ARG68 3.3 13.8 1.0
O1 A:GOL142 3.3 51.5 1.0
CZ A:ARG68 3.8 21.7 1.0
NE A:ARG68 4.0 20.7 1.0
O2 A:GOL142 4.5 52.0 1.0
CG A:ARG68 4.6 12.7 1.0
NH1 A:ARG45 4.6 32.9 1.0
CB A:ARG68 4.7 11.5 1.0
C1 A:GOL142 4.7 51.2 1.0
O A:HOH2078 4.9 15.0 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: Sun Jul 21 05:39:11 2024

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