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

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

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

Protein crystallography data

The structure of Hewl Co-Crystallization with Carboplatin in Aqueous Media with Glycerol As the Cryoprotectant, PDB code: 3txd 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) 55.77 / 1.53
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.870, 78.870, 36.980, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 25.8

Other elements in 3txd:

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

Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hewl Co-Crystallization with Carboplatin in Aqueous Media with Glycerol As the Cryoprotectant (pdb code 3txd). 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 Carboplatin in Aqueous Media with Glycerol As the Cryoprotectant, PDB code: 3txd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3txd

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

b:25.2
occ:1.00
 OH A:TYR23 3.0 23.6 1.0
O A:HOH2028 3.4 24.6 1.0
CZ A:TYR23 3.7 26.3 1.0
CE2 A:TYR23 3.8 24.7 1.0
CA A:GLY104 4.2 24.9 1.0
O A:ARG21 4.6 31.1 1.0
N A:GLY104 4.7 26.5 1.0
CE1 A:TYR23 4.9 26.6 1.0

Chlorine binding site 2 out of 8 in 3txd

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

b:35.6
occ:1.00
 OG A:SER24 3.0 33.6 1.0
N A:GLY26 3.2 26.6 1.0
CB A:SER24 3.4 29.0 1.0
CA A:GLY26 3.5 27.6 1.0
O1 A:GOL140 3.5 0.5 1.0
CA A:GLN121 3.6 32.1 1.0
CD1 A:ILE124 3.8 40.6 1.0
CB A:GLN121 3.9 33.6 1.0
N A:GLN121 4.0 29.4 1.0
N A:LEU25 4.2 27.6 1.0
CG2 A:VAL120 4.3 30.7 1.0
O2 A:GOL140 4.3 0.0 1.0
C A:SER24 4.3 27.2 1.0
C A:LEU25 4.4 26.1 1.0
C A:VAL120 4.4 28.7 1.0
O A:VAL120 4.4 27.6 1.0
CG1 A:ILE124 4.4 36.9 1.0
CA A:SER24 4.5 28.5 1.0
C A:GLY26 4.6 26.7 1.0
N A:ASN27 4.7 26.2 1.0
CA A:LEU25 4.7 26.6 1.0
C A:GLN121 4.8 31.7 1.0
C1 A:GOL140 4.8 0.0 1.0
O A:SER24 4.9 24.4 1.0
O A:GLN121 5.0 33.3 1.0

Chlorine binding site 3 out of 8 in 3txd

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

b:30.2
occ:1.00
 N A:THR69 2.9 30.6 1.0
O A:THR69 3.2 32.1 1.0
NA A:NA131 3.2 34.1 1.0
N A:ARG68 3.4 28.4 1.0
NA A:NA137 3.5 52.3 1.0
C A:THR69 3.5 33.5 1.0
C A:GLY67 3.5 29.4 1.0
CA A:THR69 3.6 30.9 1.0
N A:GLY67 3.6 26.2 1.0
OD1 A:ASN65 3.7 29.3 1.0
O A:HOH2075 3.7 41.7 1.0
CA A:GLY67 3.7 28.6 1.0
OG A:SER72 3.7 42.9 1.0
C A:ARG68 3.9 30.6 1.0
CB A:THR69 4.0 30.6 1.0
O3 A:GOL130 4.0 45.7 1.0
OD1 A:ASP66 4.1 25.2 1.0
CA A:ARG68 4.2 29.4 1.0
O A:GLY67 4.2 31.5 1.0
N A:PRO70 4.5 36.5 1.0
O A:HOH2081 4.6 22.0 0.5
OG1 A:THR69 4.7 26.2 1.0
NA A:NA1138 4.7 35.2 1.0
C A:ASP66 4.7 26.2 1.0
C3 A:GOL130 4.8 55.5 1.0
CG A:ASN65 4.9 30.5 1.0
N A:ASP66 4.9 25.2 1.0
CB A:SER72 5.0 41.2 1.0

Chlorine binding site 4 out of 8 in 3txd

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

b:41.9
occ:1.00
 N A:ILE88 3.2 28.9 1.0
O A:HOH2019 3.5 38.9 1.0
O A:HOH2097 3.6 44.9 1.0
CG1 A:ILE88 3.8 29.0 1.0
CA A:ASP87 3.8 31.6 1.0
NE2 A:HIS15 3.9 38.1 1.0
O A:SER86 3.9 34.6 1.0
C A:ASP87 4.0 29.5 1.0
CG2 A:ILE88 4.1 30.3 1.0
OD1 A:ASP87 4.1 35.6 1.0
CB A:ILE88 4.1 29.5 1.0
CA A:ILE88 4.2 29.2 1.0
O3 A:GOL132 4.2 98.5 1.0
CZ A:PHE3 4.3 29.8 1.0
CB A:ALA11 4.3 30.0 1.0
O A:HOH2100 4.3 46.2 1.0
CG A:ASP87 4.5 38.2 1.0
CD2 A:HIS15 4.6 35.7 1.0
CB A:ASP87 4.7 33.0 1.0
CE1 A:HIS15 4.7 40.6 1.0
CD1 A:ILE88 4.7 27.1 1.0
C A:SER86 4.8 32.7 1.0
N A:ASP87 4.8 31.3 1.0
CE2 A:PHE3 4.8 27.6 1.0

Chlorine binding site 5 out of 8 in 3txd

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

b:38.4
occ:1.00
 CE2 A:PHE38 3.6 21.9 1.0
NZ A:LYS33 3.8 36.0 1.0
CZ3 A:TRP123 3.9 32.6 1.0
CE A:LYS33 3.9 30.7 1.0
CD A:LYS33 4.1 30.8 1.0
CD A:ARG5 4.2 35.0 1.0
CZ A:PHE38 4.3 24.2 1.0
CB A:ARG5 4.4 30.7 1.0
CD2 A:PHE38 4.6 25.1 1.0
CG A:ARG5 4.6 32.9 1.0
CE3 A:TRP123 4.8 32.3 1.0
CH2 A:TRP123 4.8 30.3 1.0
NE A:ARG5 4.9 37.5 1.0

Chlorine binding site 6 out of 8 in 3txd

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

b:40.9
occ:1.00
 ND2 A:ASN65 3.3 31.5 1.0
O A:HOH2085 3.3 27.8 1.0
CB A:PRO79 3.6 28.8 1.0
CA A:PRO79 3.6 28.3 1.0
CB A:ASN65 3.8 27.3 1.0
N A:PRO79 3.9 29.2 1.0
CG A:ASN65 4.0 30.5 1.0
O A:ASN65 4.1 25.2 1.0
CD A:PRO79 4.2 29.7 1.0
CG A:PRO79 4.2 29.5 1.0
C A:ILE78 4.5 30.1 1.0
C A:ASN65 4.7 25.5 1.0
O A:ILE78 4.8 29.7 1.0
CA A:ASN65 4.8 27.0 1.0
O A:HOH2076 4.8 22.6 1.0
ND2 A:ASN74 4.8 30.0 1.0

Chlorine binding site 7 out of 8 in 3txd

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

b:61.0
occ:1.00
 N A:ASN74 2.8 33.8 1.0
NE A:ARG73 3.4 40.7 1.0
CB A:ARG73 3.5 35.2 1.0
C A:ASN74 3.5 30.4 1.0
CA A:ASN74 3.7 31.1 1.0
CA A:ARG73 3.7 36.2 1.0
O1 A:GOL130 3.7 59.4 1.0
O A:ASN74 3.7 30.1 1.0
C A:ARG73 3.8 35.5 1.0
CD2 A:LEU75 3.9 32.4 1.0
N A:LEU75 4.0 30.2 1.0
CD A:ARG73 4.1 37.4 1.0
CB A:ASN74 4.1 31.7 1.0
CZ A:ARG73 4.3 44.6 1.0
NH2 A:ARG73 4.3 43.8 1.0
C1 A:GOL130 4.3 60.0 1.0
CG A:ARG73 4.4 34.7 1.0
CA A:LEU75 4.4 30.9 1.0
CG A:LEU75 4.5 33.4 1.0
O A:ARG73 5.0 36.1 1.0

Chlorine binding site 8 out of 8 in 3txd

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

b:51.4
occ:1.00
 NH1 A:ARG68 3.0 37.9 1.0
CD A:ARG68 3.5 28.9 1.0
CZ A:ARG68 4.0 35.0 1.0
NE A:ARG68 4.2 33.8 1.0
CG A:ARG68 4.8 29.5 1.0
NH1 A:ARG45 4.8 42.9 1.0
CB A:ARG68 4.9 30.1 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: Sat Dec 12 10:13:28 2020

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