Atomistry » Chlorine » PDB 3txd-3u5u » 3txi
Atomistry »
  Chlorine »
    PDB 3txd-3u5u »
      3txi »

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

Go back to Chlorine Binding Sites List in 3txi
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

Go back to Chlorine Binding Sites List in 3txi
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

Go back to Chlorine Binding Sites List in 3txi
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

Go back to Chlorine Binding Sites List in 3txi
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

Go back to Chlorine Binding Sites List in 3txi
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

Go back to Chlorine Binding Sites List in 3txi
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

Go back to Chlorine Binding Sites List in 3txi
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

Go back to Chlorine Binding Sites List in 3txi
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: Wed Oct 28 11:27:06 2020

Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy