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

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

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

Protein crystallography data

The structure of Hewl Co-Crystallization with Cisplatin in Aqueous Media with Glycerol As the Cryoprotectant, PDB code: 3txb 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) 55.62 / 1.59
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.662, 78.662, 39.957, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 25.7

Other elements in 3txb:

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

Sodium (Na) 1 atom

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 8 in 3txb

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Chlorine binding site 1 out of 8 in the Hewl Co-Crystallization with Cisplatin in Aqueous 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 Aqueous Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:19.7
occ:1.00
 OH A:TYR23 3.3 14.0 1.0
O A:HOH2028 3.4 20.0 1.0
CZ A:TYR23 4.0 15.5 1.0
CE2 A:TYR23 4.0 13.0 1.0
CA A:GLY104 4.1 17.4 1.0
O A:ARG21 4.6 19.9 1.0
N A:GLY104 4.6 18.6 1.0

Chlorine binding site 2 out of 8 in 3txb

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Chlorine binding site 2 out of 8 in the Hewl Co-Crystallization with Cisplatin in Aqueous 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 Aqueous Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:25.1
occ:1.00
 N A:GLY26 3.2 17.6 1.0
OG A:SER24 3.2 20.0 1.0
C1 A:GOL136 3.5 70.0 1.0
CA A:GLY26 3.5 16.4 1.0
C2 A:GOL136 3.6 67.9 1.0
CA A:GLN121 3.8 23.0 1.0
CB A:SER24 3.9 18.6 1.0
CB A:GLN121 4.1 25.3 1.0
N A:GLN121 4.1 21.8 1.0
CD1 A:ILE124 4.1 23.1 1.0
C3 A:GOL136 4.1 65.9 1.0
CG2 A:VAL120 4.2 17.3 1.0
C A:VAL120 4.3 19.9 1.0
O A:VAL120 4.4 19.5 1.0
N A:LEU25 4.4 18.2 1.0
C A:LEU25 4.4 17.9 1.0
O3 A:GOL136 4.5 60.4 1.0
CG1 A:ILE124 4.5 20.4 1.0
C A:GLY26 4.6 16.8 1.0
C A:SER24 4.7 18.0 1.0
N A:ASN27 4.8 16.1 1.0
CA A:LEU25 4.8 17.9 1.0
O2 A:GOL136 4.8 69.5 1.0
O1 A:GOL136 4.8 70.9 1.0
O3 A:GOL150 4.8 0.4 1.0
CB A:VAL120 4.9 18.5 1.0
CA A:SER24 5.0 18.0 1.0

Chlorine binding site 3 out of 8 in 3txb

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Chlorine binding site 3 out of 8 in the Hewl Co-Crystallization with Cisplatin in Aqueous 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 Aqueous Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:24.0
occ:1.00
 N A:THR69 3.2 22.9 1.0
O A:HOH2029 3.2 32.3 1.0
O A:HOH2077 3.3 13.4 1.0
O A:THR69 3.4 22.3 1.0
C A:THR69 3.7 21.9 1.0
C A:GLY67 3.7 22.4 1.0
N A:ARG68 3.7 22.2 1.0
OG A:SER72 3.7 18.9 1.0
CA A:GLY67 3.8 21.0 1.0
CA A:THR69 3.8 21.5 1.0
OD1 A:ASN65 3.8 22.2 1.0
N A:GLY67 3.9 19.4 1.0
O A:HOH2082 4.1 16.5 1.0
O A:GLY67 4.2 23.7 1.0
C A:ARG68 4.2 22.9 1.0
CB A:THR69 4.3 21.5 1.0
CA A:ARG68 4.4 23.6 1.0
N A:PRO70 4.5 22.4 1.0
NA A:NA1138 4.7 23.2 1.0
OD1 A:ASP66 4.8 21.0 1.0
OG1 A:THR69 4.9 20.2 1.0
CB A:SER72 5.0 20.3 1.0
CG A:ASN65 5.0 19.7 1.0

Chlorine binding site 4 out of 8 in 3txb

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Chlorine binding site 4 out of 8 in the Hewl Co-Crystallization with Cisplatin in Aqueous 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 Aqueous Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1133

b:43.1
occ:1.00
 O2 A:GOL138 2.8 0.5 1.0
N A:ILE88 3.3 19.0 1.0
C3 A:GOL138 3.5 0.6 1.0
C2 A:GOL138 3.7 0.1 1.0
O A:SER86 3.7 20.1 1.0
O3 A:GOL138 3.7 0.6 1.0
CA A:ASP87 3.7 20.1 1.0
CG1 A:ILE88 3.8 19.6 1.0
O A:HOH2097 3.9 31.6 1.0
O1 A:GOL138 3.9 0.8 1.0
C A:ASP87 4.0 19.1 1.0
CG2 A:ILE88 4.2 17.0 1.0
CE1 A:HIS15 4.2 23.9 1.0
CB A:ILE88 4.3 19.0 1.0
CA A:ILE88 4.3 18.7 1.0
CZ A:PHE3 4.3 21.6 1.0
O A:HOH2100 4.3 53.3 1.0
C1 A:GOL138 4.4 0.3 1.0
OD1 A:ASP87 4.4 18.4 1.0
CB A:ALA11 4.5 18.9 1.0
NH2 A:ARG14 4.5 42.2 1.0
C A:SER86 4.6 20.2 1.0
N A:ASP87 4.6 20.1 1.0
CD1 A:ILE88 4.7 20.1 1.0
CB A:ASP87 4.8 21.7 1.0
CG A:ASP87 4.8 22.8 1.0
CE2 A:PHE3 5.0 20.3 1.0

Chlorine binding site 5 out of 8 in 3txb

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Chlorine binding site 5 out of 8 in the Hewl Co-Crystallization with Cisplatin in Aqueous 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 Aqueous Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:34.8
occ:1.00
 O2 A:GOL144 3.0 60.2 1.0
NZ A:LYS33 3.4 25.2 1.0
C3 A:GOL144 3.6 60.8 1.0
C2 A:GOL144 3.9 60.5 1.0
CE2 A:PHE38 3.9 17.7 1.0
CE A:LYS33 4.0 24.9 1.0
CZ3 A:TRP123 4.1 20.9 1.0
CB A:ARG5 4.2 22.5 1.0
CD A:ARG5 4.2 23.9 1.0
CD A:LYS33 4.4 17.5 1.0
O1 A:GOL801 4.6 62.8 1.0
CG A:ARG5 4.7 21.4 1.0
CZ A:PHE38 4.7 15.0 1.0
CD2 A:PHE38 4.8 15.9 1.0
O3 A:GOL144 4.8 61.3 1.0
CE3 A:TRP123 4.9 22.4 1.0
NE A:ARG5 4.9 23.0 1.0
C1 A:GOL144 5.0 59.4 1.0

Chlorine binding site 6 out of 8 in 3txb

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Chlorine binding site 6 out of 8 in the Hewl Co-Crystallization with Cisplatin in Aqueous 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 Aqueous Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:40.8
occ:1.00
 O3 A:GOL155 3.1 60.9 1.0
ND2 A:ASN65 3.3 21.8 1.0
C3 A:GOL155 3.4 68.0 1.0
CB A:ASN65 3.8 18.7 1.0
CB A:PRO79 3.9 19.1 1.0
CA A:PRO79 4.0 18.2 1.0
CG A:ASN65 4.0 19.7 1.0
N A:PRO79 4.1 18.8 1.0
CG A:PRO79 4.2 19.1 1.0
O A:ASN65 4.3 16.4 1.0
CD A:PRO79 4.5 18.9 1.0
C A:ILE78 4.5 18.6 1.0
O A:ILE78 4.7 19.1 1.0
CA A:ASN65 4.8 17.5 1.0
ND2 A:ASN74 4.8 20.5 1.0
C A:ASN65 4.8 17.7 1.0
C2 A:GOL155 5.0 70.8 1.0

Chlorine binding site 7 out of 8 in 3txb

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Chlorine binding site 7 out of 8 in the Hewl Co-Crystallization with Cisplatin in Aqueous 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 Aqueous Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:36.0
occ:1.00
 O3 A:GOL139 3.2 95.0 1.0
N A:ASN74 3.2 21.1 1.0
NE A:ARG73 3.3 29.9 1.0
CB A:ARG73 3.8 22.1 1.0
O A:ASN74 3.9 20.8 1.0
C A:ASN74 4.0 21.2 1.0
CA A:ARG73 4.0 21.5 1.0
CD A:ARG73 4.0 28.1 1.0
CA A:ASN74 4.1 20.4 1.0
C A:ARG73 4.1 20.6 1.0
CZ A:ARG73 4.3 31.0 1.0
NH2 A:ARG73 4.3 33.0 1.0
CB A:ASN74 4.3 20.4 1.0
CD2 A:LEU75 4.4 21.9 1.0
CG A:ARG73 4.5 23.1 1.0
C3 A:GOL139 4.5 95.7 1.0
N A:LEU75 4.6 20.1 1.0
O2 A:GOL139 4.9 93.6 1.0
CA A:LEU75 5.0 21.8 1.0

Chlorine binding site 8 out of 8 in 3txb

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Chlorine binding site 8 out of 8 in the Hewl Co-Crystallization with Cisplatin in Aqueous 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 8 of Hewl Co-Crystallization with Cisplatin in Aqueous Media with Glycerol As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:53.6
occ:1.00
 NH1 A:ARG68 2.8 35.8 1.0
CD A:ARG68 3.8 30.9 1.0
CZ A:ARG68 3.9 36.2 1.0
NE A:ARG68 4.3 32.9 1.0
NH1 A:ARG45 4.9 44.2 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 05:36:47 2024

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