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Bromine in PDB 4owb: Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions

Enzymatic activity of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions

All present enzymatic activity of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions:
3.2.1.17;

Protein crystallography data

The structure of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions, PDB code: 4owb was solved by S.W.M.Tanley, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.99 / 1.69
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.150, 78.150, 37.433, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 26.6

Other elements in 4owb:

The structure of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions also contains other interesting chemical elements:

Platinum (Pt) 2 atoms
Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions (pdb code 4owb). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions, PDB code: 4owb:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 4owb

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Bromine binding site 1 out of 8 in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br207

b:15.7
occ:0.70
OH A:TYR23 3.1 10.9 1.0
O A:HOH312 3.4 16.2 1.0
CZ A:TYR23 3.8 11.5 1.0
CE2 A:TYR23 3.8 11.9 1.0
CA A:GLY104 4.0 15.4 1.0
O A:ARG21 4.6 17.3 1.0
N A:GLY104 4.6 16.5 1.0
O A:HOH319 4.8 23.1 1.0
CE1 A:TYR23 4.9 11.7 1.0
CD2 A:TYR23 5.0 11.7 1.0

Bromine binding site 2 out of 8 in 4owb

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Bromine binding site 2 out of 8 in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br208

b:17.7
occ:0.70
O A:HOH388 2.9 45.7 1.0
OG A:SER24 3.2 17.0 1.0
N A:GLY26 3.3 14.4 1.0
CB A:SER24 3.5 16.3 1.0
CA A:GLY26 3.7 14.2 1.0
CA A:GLN121 3.7 20.1 1.0
CD1 A:ILE124 3.7 22.4 1.0
N A:GLN121 4.0 18.4 1.0
O A:VAL120 4.2 18.2 1.0
CG1 A:ILE124 4.2 20.9 1.0
CB A:GLN121 4.2 23.7 1.0
C A:VAL120 4.3 17.4 1.0
N A:LEU25 4.4 15.4 1.0
CG A:GLN121 4.4 29.7 1.0
C A:SER24 4.5 15.4 1.0
CG2 A:VAL120 4.5 17.6 1.0
C A:LEU25 4.5 15.4 1.0
CA A:SER24 4.6 14.5 1.0
C A:GLY26 4.7 13.2 1.0
C A:GLN121 4.8 18.5 1.0
N A:ASN27 4.8 13.5 1.0
CA A:LEU25 4.9 15.6 1.0
O A:SER24 4.9 15.0 1.0

Bromine binding site 3 out of 8 in 4owb

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Bromine binding site 3 out of 8 in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br209

b:23.3
occ:0.57
OXT A:ACT203 3.2 32.7 1.0
N A:THR69 3.3 17.5 1.0
O A:HOH337 3.3 13.9 1.0
O A:THR69 3.4 20.4 1.0
OD1 A:ASN65 3.5 20.3 1.0
N A:ARG68 3.6 19.0 1.0
C A:GLY67 3.6 20.1 1.0
OG A:SER72 3.6 34.1 1.0
CA A:GLY67 3.6 18.9 1.0
C A:THR69 3.7 21.2 1.0
N A:GLY67 3.8 18.6 1.0
CA A:THR69 3.9 19.2 1.0
O A:HOH331 4.0 23.9 1.0
C A:ACT203 4.1 37.5 1.0
CB A:THR69 4.2 18.5 1.0
C A:ARG68 4.3 19.3 1.0
O A:GLY67 4.3 22.1 1.0
CA A:ARG68 4.3 19.0 1.0
OD1 A:ASP66 4.4 14.3 1.0
N A:PRO70 4.5 23.6 1.0
CG A:ASN65 4.7 20.2 1.0
CB A:SER72 4.7 33.7 1.0
CH3 A:ACT203 4.8 39.0 1.0
CA A:PRO70 4.9 28.3 1.0
C A:ASP66 4.9 16.9 1.0
OG1 A:THR69 4.9 18.6 1.0
O A:ACT203 4.9 43.2 1.0
NA A:NA205 4.9 28.9 0.8
N A:ASP66 5.0 17.1 1.0

Bromine binding site 4 out of 8 in 4owb

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Bromine binding site 4 out of 8 in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:22.3
occ:0.64
NZ A:LYS33 3.7 19.2 1.0
CE2 A:PHE38 3.8 15.5 1.0
CZ3 A:TRP123 4.0 16.7 1.0
CE A:LYS33 4.0 18.0 1.0
CD A:LYS33 4.2 16.5 1.0
CD A:ARG5 4.3 20.1 1.0
CB A:ARG5 4.4 20.2 1.0
CZ A:PHE38 4.5 15.4 1.0
CD2 A:PHE38 4.6 15.1 1.0
CE3 A:TRP123 4.8 16.6 1.0
NE A:ARG5 4.8 19.3 1.0
CG A:ARG5 4.8 19.6 1.0
CH2 A:TRP123 4.9 16.2 1.0

Bromine binding site 5 out of 8 in 4owb

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Bromine binding site 5 out of 8 in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br212

b:23.6
occ:0.69
PT A:PT216 2.5 19.4 0.6
ND1 A:HIS15 3.1 23.9 1.0
CB A:HIS15 3.5 19.7 1.0
CL A:CL217 3.5 30.0 1.0
OD1 A:ASN93 3.6 27.2 1.0
CG2 A:THR89 3.6 20.0 1.0
CG A:HIS15 3.6 21.0 1.0
CG1 A:VAL92 3.8 16.4 1.0
O A:THR89 3.8 17.0 1.0
CB A:VAL92 3.9 15.7 1.0
O A:HIS15 3.9 21.1 1.0
O A:HOH384 4.0 38.4 1.0
CA A:THR89 4.0 19.7 1.0
CE1 A:HIS15 4.1 22.0 1.0
CG A:ASN93 4.2 25.8 1.0
CB A:THR89 4.2 19.5 1.0
CA A:HIS15 4.3 20.3 1.0
C A:THR89 4.4 18.4 1.0
OG1 A:THR89 4.5 20.6 1.0
N A:ASN93 4.5 17.0 1.0
ND2 A:ASN93 4.5 27.1 1.0
C A:HIS15 4.6 21.4 1.0
NZ A:LYS96 4.7 18.6 1.0
CG2 A:VAL92 4.8 15.9 1.0
CD2 A:HIS15 4.8 21.5 1.0
C A:VAL92 4.9 16.7 1.0
BR A:BR213 5.0 31.0 0.7

Bromine binding site 6 out of 8 in 4owb

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Bromine binding site 6 out of 8 in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br213

b:31.0
occ:0.72
PT A:PT216 2.5 19.4 0.6
ND1 A:HIS15 3.2 23.9 1.0
CL A:CL217 3.5 30.0 1.0
CE1 A:HIS15 3.6 22.0 1.0
NH2 A:ARG14 3.7 29.8 1.0
O A:ARG14 3.8 22.5 1.0
O A:HOH347 3.8 19.6 1.0
CZ A:ARG14 3.9 26.3 1.0
NE A:ARG14 4.0 28.3 1.0
CG A:HIS15 4.0 21.0 1.0
CA A:HIS15 4.1 20.3 1.0
O A:HOH329 4.3 32.3 1.0
C A:ARG14 4.3 21.6 1.0
CG A:ARG14 4.4 24.3 1.0
NE2 A:HIS15 4.4 21.9 1.0
N A:HIS15 4.5 20.9 1.0
CB A:HIS15 4.6 19.7 1.0
CD2 A:HIS15 4.7 21.5 1.0
NH1 A:ARG14 4.7 28.0 1.0
CD A:ARG14 4.8 26.5 1.0
BR A:BR212 5.0 23.6 0.7

Bromine binding site 7 out of 8 in 4owb

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Bromine binding site 7 out of 8 in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br214

b:19.6
occ:0.57
PT A:PT211 2.2 26.4 0.2
N A:ILE88 3.4 19.7 1.0
NE2 A:HIS15 3.6 21.9 1.0
CG1 A:ILE88 3.7 16.6 1.0
O A:HOH374 3.7 30.4 1.0
CA A:ASP87 3.9 23.0 1.0
CB A:ALA11 4.0 15.7 1.0
C A:ASP87 4.1 21.1 1.0
CD2 A:HIS15 4.2 21.5 1.0
CG A:ASP87 4.3 28.5 1.0
O A:SER86 4.3 24.6 1.0
CB A:ILE88 4.3 17.1 1.0
CG2 A:ILE88 4.3 17.0 1.0
OD1 A:ASP87 4.3 25.9 1.0
CA A:ILE88 4.4 18.6 1.0
CZ A:PHE3 4.4 18.4 1.0
NH1 A:ARG14 4.5 28.0 1.0
OD2 A:ASP87 4.5 30.2 1.0
CD1 A:ILE88 4.6 15.7 1.0
CB A:ASP87 4.6 25.1 1.0
CE1 A:HIS15 4.7 22.0 1.0
CE2 A:PHE3 4.9 17.3 1.0
N A:ASP87 5.0 22.8 1.0

Bromine binding site 8 out of 8 in 4owb

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Bromine binding site 8 out of 8 in the Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Cisplatin Binding to Hewl Under Sodium Bromide Crystallisation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br215

b:0.9
occ:1.00
O A:CYS6 3.5 18.2 1.0
N A:ARG128 3.5 27.8 1.0
CB A:CYS6 3.7 19.7 1.0
O A:HOH301 3.7 29.4 1.0
O A:ARG128 3.8 36.0 1.0
CB A:CYS127 3.8 22.7 1.0
C A:CYS6 4.0 19.1 1.0
C A:ARG128 4.0 33.8 1.0
CA A:ARG128 4.1 30.6 1.0
CD2 A:LEU129 4.1 35.4 1.0
CB A:ALA10 4.2 17.9 1.0
C A:CYS127 4.2 24.9 1.0
CA A:CYS127 4.2 23.0 1.0
CB A:ARG128 4.2 30.5 1.0
CA A:CYS6 4.3 20.1 1.0
CG A:LEU129 4.8 35.3 1.0
SG A:CYS6 4.8 22.3 1.0
N A:LEU129 4.8 33.4 1.0
N A:GLU7 4.9 18.3 1.0
SG A:CYS127 4.9 22.2 1.0
N A:ALA10 4.9 16.9 1.0
CA A:ALA10 5.0 17.3 1.0

Reference:

S.W.Tanley, J.R.Helliwell. Chemical Conversion of Cisplatin and Carboplatin with Histidine in A Model Protein Crystallized Under Sodium Iodide Conditions. Acta Crystallogr.,Sect.F V. 70 1127 2014.
ISSN: ESSN 2053-230X
PubMed: 25195879
DOI: 10.1107/S2053230X14013995
Page generated: Sat Dec 12 02:22:06 2020

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