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

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

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

Protein crystallography data

The structure of Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone As the Cryoprotectant, PDB code: 3txg 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) 34.92 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.081, 78.081, 37.107, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23.9

Other elements in 3txg:

The structure of Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone 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 Cisplatin in Dmso Media with Paratone As the Cryoprotectant (pdb code 3txg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone As the Cryoprotectant, PDB code: 3txg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3txg

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Chlorine binding site 1 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone 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 Paratone 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 9.7 1.0
O A:HOH2028 3.3 13.3 1.0
CZ A:TYR23 3.7 8.4 1.0
CE2 A:TYR23 3.7 10.3 1.0
CA A:GLY104 4.2 8.7 1.0
O A:ARG21 4.5 11.6 1.0
N A:GLY104 4.8 9.7 1.0
CE1 A:TYR23 4.9 7.8 1.0
CD2 A:TYR23 5.0 8.0 1.0

Chlorine binding site 2 out of 10 in 3txg

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Chlorine binding site 2 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone 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 Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:16.3
occ:1.00
OG A:SER24 3.0 13.2 1.0
N A:GLY26 3.1 10.3 1.0
CA A:GLY26 3.5 8.6 1.0
CB A:SER24 3.5 12.3 1.0
CA A:GLN121 3.6 17.0 1.0
NE2 A:GLN121 3.7 42.9 1.0
CD1 A:ILE124 3.9 22.4 1.0
N A:GLN121 4.0 15.2 1.0
CB A:GLN121 4.0 19.4 1.0
N A:LEU25 4.2 9.9 1.0
C A:LEU25 4.3 10.5 1.0
C A:SER24 4.3 12.1 1.0
O A:VAL120 4.3 12.9 1.0
C A:VAL120 4.3 13.6 1.0
CG1 A:ILE124 4.3 18.3 1.0
CG2 A:VAL120 4.4 12.8 1.0
CA A:SER24 4.5 10.8 1.0
C A:GLY26 4.5 8.7 1.0
CD A:GLN121 4.6 39.2 1.0
CA A:LEU25 4.6 9.9 1.0
N A:ASN27 4.6 9.4 1.0
O A:SER24 4.8 11.7 1.0
C A:GLN121 4.8 15.6 1.0
CG A:GLN121 4.9 29.6 1.0
CB A:LEU25 5.0 11.5 1.0

Chlorine binding site 3 out of 10 in 3txg

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Chlorine binding site 3 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone 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 Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:13.7
occ:1.00
O A:HOH2077 3.2 4.8 1.0
N A:THR69 3.3 13.6 1.0
O A:THR69 3.4 13.5 1.0
O A:HOH2075 3.4 23.0 1.0
OG A:SER72 3.5 17.1 1.0
N A:ARG68 3.6 12.4 1.0
C A:GLY67 3.6 13.1 1.0
OD1 A:ASN65 3.7 15.7 1.0
CA A:GLY67 3.7 11.1 1.0
C A:THR69 3.8 14.4 1.0
N A:GLY67 3.9 10.8 1.0
O A:HOH2082 4.0 7.2 1.0
CA A:THR69 4.0 13.9 1.0
O A:GLY67 4.2 14.2 1.0
CB A:THR69 4.3 13.9 1.0
C A:ARG68 4.3 14.5 1.0
CA A:ARG68 4.4 13.9 1.0
OD1 A:ASP66 4.5 9.9 1.0
N A:PRO70 4.6 16.4 1.0
NA A:NA1138 4.7 7.5 1.0
CB A:SER72 4.9 14.9 1.0
CG A:ASN65 4.9 15.1 1.0
O A:HOH2081 4.9 2.0 0.5
C A:ASP66 4.9 9.9 1.0
OG1 A:THR69 4.9 13.1 1.0

Chlorine binding site 4 out of 10 in 3txg

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Chlorine binding site 4 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone 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 Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:30.3
occ:1.00
C1 A:DMS133 3.3 0.9 1.0
S A:DMS133 3.4 0.3 1.0
NZ A:LYS33 3.7 20.6 1.0
CE2 A:PHE38 3.8 13.3 1.0
C2 A:DMS134 3.9 60.6 1.0
CZ3 A:TRP123 4.0 18.8 1.0
CD A:ARG5 4.1 17.7 1.0
CE A:LYS33 4.2 20.9 1.0
O A:DMS133 4.3 0.1 1.0
CB A:ARG5 4.4 16.2 1.0
CD A:LYS33 4.4 16.8 1.0
CZ A:PHE38 4.5 11.7 1.0
O A:HOH2007 4.5 37.4 1.0
NE A:ARG5 4.6 18.1 1.0
CG A:ARG5 4.6 16.9 1.0
CD2 A:PHE38 4.7 14.5 1.0
CE3 A:TRP123 4.7 14.8 1.0
CH2 A:TRP123 4.9 18.9 1.0

Chlorine binding site 5 out of 10 in 3txg

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Chlorine binding site 5 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone 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 Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:26.7
occ:1.00
O A:HOH2085 3.0 10.4 1.0
ND2 A:ASN65 3.2 17.9 1.0
CB A:PRO79 3.8 12.3 1.0
CA A:PRO79 3.8 11.1 1.0
N A:PRO79 4.0 13.7 1.0
CB A:ASN65 4.0 11.7 1.0
CG A:ASN65 4.1 15.1 1.0
CD A:PRO79 4.3 14.2 1.0
O A:ASN65 4.4 11.3 1.0
CG A:PRO79 4.4 14.9 1.0
C A:ILE78 4.6 13.4 1.0
O A:ILE78 4.8 13.4 1.0
ND2 A:ASN74 4.8 15.2 1.0
C A:ASN65 5.0 11.1 1.0

Chlorine binding site 6 out of 10 in 3txg

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Chlorine binding site 6 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone 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 Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:26.9
occ:1.00
NE A:ARG73 3.2 27.9 1.0
N A:ASN74 3.2 15.7 1.0
O A:ASN74 3.6 15.1 1.0
C A:ASN74 3.6 13.4 1.0
CA A:ASN74 3.9 13.9 1.0
CD A:ARG73 3.9 27.1 1.0
CB A:ARG73 3.9 18.4 1.0
CZ A:ARG73 4.1 31.3 1.0
CA A:ARG73 4.1 18.2 1.0
NH2 A:ARG73 4.1 33.4 1.0
C A:ARG73 4.2 16.9 1.0
CB A:ASN74 4.2 13.8 1.0
N A:LEU75 4.2 15.6 1.0
CD2 A:LEU75 4.4 22.6 1.0
CG A:ARG73 4.5 21.4 1.0
CA A:LEU75 4.6 16.2 1.0
CG A:LEU75 4.9 18.1 1.0

Chlorine binding site 7 out of 10 in 3txg

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Chlorine binding site 7 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone 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 Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:35.4
occ:1.00
C1 A:DMS145 2.8 30.0 1.0
CD A:ARG68 3.5 26.8 1.0
S A:DMS145 3.9 41.1 1.0
NE A:ARG68 4.0 39.9 1.0
O A:DMS145 4.4 30.8 1.0
CZ A:ARG68 4.9 47.9 1.0
CG A:ARG68 4.9 16.9 1.0

Chlorine binding site 8 out of 10 in 3txg

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Chlorine binding site 8 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl130

b:31.5
occ:1.00
CL2 A:CPT130 0.0 31.5 1.0
PT1 A:CPT130 2.4 29.1 1.0
OD1 A:ASP87 2.7 23.9 1.0
NE2 A:HIS15 3.0 19.4 1.0
OG1 A:THR89 3.3 18.6 1.0
N A:ILE88 3.3 16.6 1.0
CG A:ASP87 3.3 24.0 1.0
CE1 A:HIS15 3.4 18.1 1.0
CL1 A:CPT130 3.5 37.9 1.0
N A:THR89 3.6 14.4 1.0
CA A:ASP87 3.7 17.0 1.0
C A:ASP87 3.8 15.9 1.0
OD2 A:ASP87 3.9 25.0 1.0
CB A:ASP87 4.0 17.9 1.0
CG1 A:ILE88 4.1 14.6 1.0
CA A:ILE88 4.2 14.4 1.0
CD2 A:HIS15 4.2 22.1 1.0
C A:ILE88 4.3 13.5 1.0
O A:HOH2100 4.3 21.7 1.0
CB A:THR89 4.4 17.2 1.0
N1 A:CPT130 4.4 24.5 1.0
CA A:THR89 4.4 14.4 1.0
ND1 A:HIS15 4.6 21.5 1.0
CB A:ILE88 4.7 13.3 1.0
O A:ASP87 4.8 15.5 1.0
O A:HOH2101 4.9 23.8 1.0
NH1 A:ARG14 4.9 26.9 1.0

Chlorine binding site 9 out of 10 in 3txg

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Chlorine binding site 9 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl130

b:37.9
occ:1.00
CL1 A:CPT130 0.0 37.9 1.0
PT1 A:CPT130 2.4 29.1 1.0
N1 A:CPT130 3.1 24.5 1.0
O A:HOH2010 3.4 30.6 1.0
CL2 A:CPT130 3.5 31.5 1.0
O A:HOH2097 4.0 29.1 1.0
NH1 A:ARG14 4.6 26.9 1.0
O A:HOH2009 4.6 24.2 1.0
NE2 A:HIS15 4.7 19.4 1.0
CB A:ALA11 4.8 13.2 1.0
O A:HOH2100 4.8 21.7 1.0

Chlorine binding site 10 out of 10 in 3txg

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Chlorine binding site 10 out of 10 in the Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Hewl Co-Crystallization with Cisplatin in Dmso Media with Paratone As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl131

b:39.8
occ:1.00
CL2 A:CPT131 0.0 39.8 1.0
PT1 A:CPT131 2.4 37.8 1.0
N2 A:CPT131 3.4 31.0 1.0
ND1 A:HIS15 3.6 21.5 1.0
NH2 A:ARG14 3.7 34.9 1.0
CZ A:ARG14 4.0 29.5 1.0
CE1 A:HIS15 4.0 18.1 1.0
CA A:HIS15 4.1 16.3 1.0
O A:HOH2101 4.2 23.8 1.0
CG A:HIS15 4.2 18.3 1.0
O A:ARG14 4.2 16.6 1.0
NE A:ARG14 4.4 36.0 1.0
NH1 A:ARG14 4.5 26.9 1.0
C A:ARG14 4.6 15.5 1.0
N1 A:CPT131 4.6 16.8 1.0
CB A:HIS15 4.6 15.4 1.0
N A:HIS15 4.7 15.1 1.0
NE2 A:HIS15 4.8 19.4 1.0
CG A:ARG14 4.8 20.6 1.0
CD2 A:HIS15 4.9 22.1 1.0
C1 A:DMS143 4.9 88.7 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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