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

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

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

Protein crystallography data

The structure of Hewl Co-Crystallization with Carboplatin in Aqueous Media with Paratone As the Cryoprotectant, PDB code: 3txe 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) 55.51 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.506, 78.506, 37.439, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 25.9

Other elements in 3txe:

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

Chlorine binding site 1 out of 8 in 3txe

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

b:29.4
occ:1.00
 OH A:TYR23 3.0 24.0 1.0
O A:HOH2028 3.4 25.0 1.0
CZ A:TYR23 3.7 24.2 1.0
CE2 A:TYR23 3.7 25.6 1.0
CA A:GLY104 4.2 26.3 1.0
O A:ARG21 4.6 26.1 1.0
N A:GLY104 4.7 26.4 1.0
CE1 A:TYR23 4.9 25.0 1.0
CD2 A:TYR23 4.9 20.6 1.0
O A:HOH2109 5.0 32.4 1.0

Chlorine binding site 2 out of 8 in 3txe

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

b:32.1
occ:1.00
 OG A:SER24 3.1 28.1 1.0
N A:GLY26 3.2 23.7 1.0
CA A:GLY26 3.5 24.3 1.0
CB A:SER24 3.5 26.1 1.0
CA A:GLN121 3.6 29.4 1.0
N A:GLN121 3.9 27.2 1.0
CD1 A:ILE124 3.9 35.4 1.0
CB A:GLN121 4.0 30.2 1.0
C A:VAL120 4.2 27.5 1.0
CG1 A:ILE124 4.2 30.0 1.0
O A:VAL120 4.3 27.5 1.0
CG A:GLN121 4.3 36.1 1.0
CG2 A:VAL120 4.3 29.5 1.0
N A:LEU25 4.4 24.7 1.0
C A:LEU25 4.4 25.1 1.0
C A:SER24 4.4 25.2 1.0
C A:GLY26 4.5 24.2 1.0
CA A:SER24 4.6 25.9 1.0
N A:ASN27 4.7 24.5 1.0
C A:GLN121 4.8 28.7 1.0
CA A:LEU25 4.8 24.9 1.0
O A:SER24 4.9 27.1 1.0

Chlorine binding site 3 out of 8 in 3txe

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

b:32.7
occ:1.00
 O A:HOH2029 3.2 41.8 1.0
O A:HOH2077 3.2 24.9 1.0
N A:THR69 3.2 30.7 1.0
O A:THR69 3.4 32.2 1.0
O A:HOH2075 3.4 39.0 1.0
CA A:GLY67 3.6 29.3 1.0
C A:GLY67 3.6 29.8 1.0
N A:ARG68 3.6 28.7 1.0
OD1 A:ASN65 3.6 30.7 1.0
N A:GLY67 3.6 29.2 1.0
OG A:SER72 3.7 29.4 1.0
C A:THR69 3.7 32.7 1.0
CA A:THR69 3.9 31.1 1.0
O A:HOH2082 4.0 27.7 1.0
O A:GLY67 4.2 30.0 1.0
C A:ARG68 4.3 31.0 1.0
CB A:THR69 4.3 30.0 1.0
OD1 A:ASP66 4.4 23.5 1.0
CA A:ARG68 4.4 29.8 1.0
N A:PRO70 4.5 34.0 1.0
O A:HOH2081 4.7 32.2 0.5
NA A:NA1138 4.7 32.9 1.0
C A:ASP66 4.7 28.4 1.0
CG A:ASN65 4.8 30.4 1.0
OG1 A:THR69 4.8 26.7 1.0
CB A:SER72 4.9 31.1 1.0
CA A:PRO70 5.0 34.6 1.0
N A:ASP66 5.0 26.6 1.0

Chlorine binding site 4 out of 8 in 3txe

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

b:41.1
occ:1.00
 N A:ILE88 3.2 29.1 1.0
O A:HOH2097 3.3 40.2 1.0
O A:HOH2019 3.4 47.1 1.0
CA A:ASP87 3.7 31.2 1.0
CG1 A:ILE88 3.7 28.2 1.0
CE1 A:HIS15 3.8 34.5 1.0
C A:ASP87 3.9 29.0 1.0
CB A:ALA11 4.1 26.7 1.0
OD1 A:ASP87 4.1 33.7 1.0
O A:SER86 4.2 33.0 1.0
CG2 A:ILE88 4.2 29.5 1.0
CG A:ASP87 4.2 36.8 1.0
CB A:ILE88 4.2 27.3 1.0
CZ A:PHE3 4.3 29.5 1.0
CA A:ILE88 4.3 28.4 1.0
O A:HOH2100 4.3 42.2 1.0
CB A:ASP87 4.5 32.2 1.0
ND1 A:HIS15 4.5 30.9 1.0
CD1 A:ILE88 4.6 23.9 1.0
NE2 A:HIS15 4.6 36.8 1.0
OD2 A:ASP87 4.7 41.1 1.0
N A:ASP87 4.7 30.9 1.0
CE2 A:PHE3 4.8 27.7 1.0
C A:SER86 4.9 32.2 1.0

Chlorine binding site 5 out of 8 in 3txe

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

b:43.9
occ:1.00
 O A:HOH2007 3.4 43.8 1.0
CE2 A:PHE38 3.7 30.4 1.0
NZ A:LYS33 3.8 38.3 1.0
CD A:ARG5 4.0 31.5 1.0
CZ3 A:TRP123 4.0 30.0 1.0
CB A:ARG5 4.1 28.4 1.0
CD A:LYS33 4.3 30.0 1.0
CZ A:PHE38 4.4 26.6 1.0
CE A:LYS33 4.4 30.4 1.0
CG A:ARG5 4.5 29.4 1.0
NE A:ARG5 4.5 31.6 1.0
CD2 A:PHE38 4.6 23.8 1.0
CE3 A:TRP123 4.8 28.7 1.0
CH2 A:TRP123 5.0 30.5 1.0

Chlorine binding site 6 out of 8 in 3txe

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

b:48.7
occ:1.00
 O A:HOH2085 3.0 36.2 1.0
ND2 A:ASN65 3.3 33.2 1.0
CB A:PRO79 3.6 28.1 1.0
CA A:PRO79 3.7 27.7 1.0
N A:PRO79 3.9 27.8 1.0
CB A:ASN65 4.0 25.8 1.0
CG A:ASN65 4.1 30.4 1.0
CG A:PRO79 4.1 30.1 1.0
O A:ASN65 4.2 25.6 1.0
CD A:PRO79 4.3 27.4 1.0
C A:ILE78 4.5 27.1 1.0
O A:ILE78 4.7 26.2 1.0
C A:ASN65 4.8 26.1 1.0
CA A:ASN65 4.9 26.6 1.0
ND2 A:ASN74 4.9 28.5 1.0

Chlorine binding site 7 out of 8 in 3txe

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

b:54.7
occ:1.00
 N A:ASN74 3.2 30.3 1.0
NE A:ARG73 3.4 50.2 1.0
CD2 A:LEU75 3.8 33.5 1.0
C A:ASN74 3.8 29.3 1.0
O A:ASN74 3.8 31.3 1.0
CB A:ARG73 3.9 31.9 1.0
CA A:ASN74 4.0 29.3 1.0
CA A:ARG73 4.1 31.7 1.0
CD A:ARG73 4.1 43.5 1.0
C A:ARG73 4.1 30.9 1.0
N A:LEU75 4.2 29.6 1.0
NH2 A:ARG73 4.2 54.3 1.0
CZ A:ARG73 4.3 52.8 1.0
CB A:ASN74 4.4 29.6 1.0
CA A:LEU75 4.5 30.0 1.0
CG A:ARG73 4.6 35.2 1.0
CG A:LEU75 4.8 33.4 1.0

Chlorine binding site 8 out of 8 in 3txe

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

b:55.0
occ:1.00
 NH1 A:ARG68 2.8 41.2 1.0
CD A:ARG68 3.6 33.3 1.0
CZ A:ARG68 3.9 37.8 1.0
NE A:ARG68 4.2 35.3 1.0
CG A:ARG68 4.8 32.1 1.0
NH1 A:ARG45 4.9 40.4 1.0
NH2 A:ARG68 5.0 27.3 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 05:37:00 2024

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