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

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

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

Protein crystallography data

The structure of Hewl Co-Crystallization with Carboplatin in Dmso Media with Paratone As the Cryoprotectant, PDB code: 3txi 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) 55.17 / 1.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.023, 78.023, 36.970, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23.3

Other elements in 3txi:

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

Chlorine binding site 1 out of 8 in 3txi

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

b:22.9
occ:1.00
 OH A:TYR23 3.0 20.8 1.0
O A:HOH2028 3.3 21.7 1.0
CZ A:TYR23 3.7 18.0 1.0
CE2 A:TYR23 3.7 17.6 1.0
CA A:GLY104 4.2 20.7 1.0
O A:ARG21 4.6 23.9 1.0
N A:GLY104 4.8 21.3 1.0
CE1 A:TYR23 4.8 18.1 1.0
CD2 A:TYR23 5.0 19.4 1.0

Chlorine binding site 2 out of 8 in 3txi

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

b:26.6
occ:1.00
 N A:GLY26 3.1 20.4 1.0
OG A:SER24 3.1 24.8 1.0
CA A:GLY26 3.4 20.2 1.0
CA A:GLN121 3.5 26.2 1.0
CB A:SER24 3.5 22.8 1.0
CD1 A:ILE124 3.8 33.5 1.0
CB A:GLN121 3.8 27.6 1.0
N A:GLN121 3.9 25.1 1.0
CG A:GLN121 4.1 33.3 1.0
CG1 A:ILE124 4.2 29.7 1.0
O A:VAL120 4.2 24.2 1.0
C A:VAL120 4.2 24.6 1.0
N A:LEU25 4.3 21.3 1.0
C A:LEU25 4.3 18.9 1.0
CG2 A:VAL120 4.3 25.7 1.0
C A:SER24 4.4 21.5 1.0
C A:GLY26 4.6 19.1 1.0
CA A:SER24 4.6 21.9 1.0
N A:ASN27 4.7 20.4 1.0
CA A:LEU25 4.7 20.6 1.0
C A:GLN121 4.8 25.0 1.0
O A:SER24 4.9 22.6 1.0

Chlorine binding site 3 out of 8 in 3txi

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

b:23.1
occ:1.00
 O A:HOH2005 3.2 32.5 1.0
O A:HOH2077 3.2 16.1 1.0
N A:THR69 3.2 21.5 1.0
O A:THR69 3.2 25.4 1.0
O A:HOH2075 3.5 26.9 1.0
OG A:SER72 3.5 29.0 1.0
N A:ARG68 3.5 23.1 1.0
C A:GLY67 3.6 24.3 1.0
OD1 A:ASN65 3.7 25.6 1.0
CA A:GLY67 3.7 23.1 1.0
C A:THR69 3.7 24.6 1.0
N A:GLY67 3.7 23.1 1.0
CA A:THR69 3.9 24.2 1.0
O A:HOH2082 4.0 20.8 1.0
CB A:THR69 4.2 24.4 1.0
O A:GLY67 4.2 24.6 1.0
C A:ARG68 4.2 25.5 1.0
OD1 A:ASP66 4.3 20.7 1.0
CA A:ARG68 4.3 24.1 1.0
NA A:NA1138 4.6 21.4 1.0
O A:HOH2081 4.6 15.2 0.5
N A:PRO70 4.6 26.4 1.0
CB A:SER72 4.7 27.7 1.0
C A:ASP66 4.8 21.8 1.0
OG1 A:THR69 4.8 23.2 1.0
CG A:ASN65 4.9 24.8 1.0
N A:ASP66 4.9 22.1 1.0
CA A:PRO70 5.0 28.2 1.0

Chlorine binding site 4 out of 8 in 3txi

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

b:35.2
occ:1.00
 PT1 A:QPT130 2.6 41.4 1.0
N1 A:QPT130 2.9 39.5 1.0
N2 A:QPT130 3.0 30.3 1.0
N A:ILE88 3.2 26.5 1.0
O A:HOH2097 3.5 35.2 1.0
CG1 A:ILE88 3.5 26.9 1.0
NE2 A:HIS15 3.7 31.4 1.0
CB A:ALA11 3.8 25.1 1.0
CG2 A:ILE88 4.0 27.1 1.0
CA A:ASP87 4.0 30.1 1.0
CB A:ILE88 4.0 26.0 1.0
CZ A:PHE3 4.1 27.7 1.0
CA A:ILE88 4.2 25.6 1.0
C A:ASP87 4.2 27.8 1.0
CD2 A:HIS15 4.2 30.7 1.0
O A:SER86 4.2 30.8 1.0
OD1 A:ASP87 4.3 35.3 1.0
CD1 A:ILE88 4.4 26.7 1.0
CE2 A:PHE3 4.6 25.7 1.0
CG A:ASP87 4.7 36.9 1.0
NH1 A:ARG14 4.8 32.8 1.0
CE1 A:HIS15 4.9 32.4 1.0
CB A:ASP87 4.9 32.1 1.0
CA A:ALA11 5.0 25.9 1.0
C A:ILE88 5.0 24.7 1.0

Chlorine binding site 5 out of 8 in 3txi

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

b:39.6
occ:1.00
 C1 A:DMS137 3.2 96.9 1.0
CE2 A:PHE38 3.7 24.9 1.0
S A:DMS137 3.7 96.9 1.0
NZ A:LYS33 3.8 31.9 1.0
CZ3 A:TRP123 3.9 25.4 1.0
O A:DMS137 4.2 97.0 1.0
CD A:ARG5 4.2 28.6 1.0
CE A:LYS33 4.3 33.2 1.0
CB A:ARG5 4.3 31.5 1.0
CD A:LYS33 4.3 27.7 1.0
CZ A:PHE38 4.4 25.1 1.0
O A:DMS133 4.6 75.1 1.0
CD2 A:PHE38 4.6 24.9 1.0
CE3 A:TRP123 4.7 26.1 1.0
CG A:ARG5 4.7 28.7 1.0
NE A:ARG5 4.7 32.8 1.0
CH2 A:TRP123 4.8 27.5 1.0
C1 A:DMS133 4.8 74.7 1.0

Chlorine binding site 6 out of 8 in 3txi

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

b:40.3
occ:1.00
 O A:HOH2085 3.0 25.9 1.0
ND2 A:ASN65 3.2 29.5 1.0
CB A:PRO79 3.6 24.8 1.0
CA A:PRO79 3.7 24.5 1.0
N A:PRO79 3.9 25.4 1.0
CB A:ASN65 3.9 21.1 1.0
CG A:ASN65 4.0 24.8 1.0
CG A:PRO79 4.2 29.6 1.0
CD A:PRO79 4.3 25.6 1.0
O A:ASN65 4.3 20.7 1.0
C A:ILE78 4.6 24.3 1.0
ND2 A:ASN74 4.8 24.2 1.0
O A:ILE78 4.8 23.7 1.0
C A:ASN65 4.9 20.6 1.0
CA A:ASN65 4.9 21.2 1.0

Chlorine binding site 7 out of 8 in 3txi

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

b:44.4
occ:1.00
 N A:ASN74 3.1 26.6 1.0
NE A:ARG73 3.3 42.6 1.0
O A:ASN74 3.5 25.4 1.0
C A:ASN74 3.6 22.8 1.0
S A:DMS138 3.6 0.8 1.0
CA A:ASN74 3.8 24.0 1.0
CB A:ARG73 3.8 30.2 1.0
CD A:ARG73 3.9 37.7 1.0
C2 A:DMS138 3.9 0.7 1.0
CA A:ARG73 4.0 29.3 1.0
C A:ARG73 4.0 26.9 1.0
N A:LEU75 4.1 23.9 1.0
CB A:ASN74 4.1 24.6 1.0
CD2 A:LEU75 4.2 33.5 1.0
CZ A:ARG73 4.4 42.5 1.0
CA A:LEU75 4.4 25.3 1.0
CG A:ARG73 4.5 31.6 1.0
NH2 A:ARG73 4.5 44.9 1.0
O A:DMS138 4.6 0.7 1.0
CG A:LEU75 4.8 27.2 1.0
C1 A:DMS138 5.0 0.6 1.0

Chlorine binding site 8 out of 8 in 3txi

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

b:43.0
occ:1.00
 NH1 A:ARG68 2.7 28.9 1.0
CD A:ARG68 3.5 27.4 1.0
CZ A:ARG68 3.8 29.7 1.0
NE A:ARG68 4.0 29.1 1.0
NH1 A:ARG45 4.6 37.5 1.0
CG A:ARG68 4.8 23.8 1.0
NH2 A:ARG68 4.9 24.8 1.0
CB A:ARG68 5.0 23.9 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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