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Chlorine in PDB 4rsz: The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C

Protein crystallography data

The structure of The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C, PDB code: 4rsz was solved by A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 104.22 / 2.19
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 120.344, 120.344, 36.673, 90.00, 90.00, 120.00
R / Rfree (%) 23.1 / 28.2

Other elements in 4rsz:

The structure of The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C also contains other interesting chemical elements:

Platinum (Pt) 5 atoms
Iron (Fe) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C (pdb code 4rsz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C, PDB code: 4rsz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4rsz

Go back to Chlorine Binding Sites List in 4rsz
Chlorine binding site 1 out of 3 in the The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:37.9
occ:0.50
CL1 B:CPT203 0.0 37.9 0.5
PT1 B:CPT203 2.3 58.5 0.5
N1 B:CPT203 2.5 44.3 0.5
CG B:GLU92 2.8 60.7 1.0
OE1 B:GLU92 3.1 66.4 1.0
CD B:GLU92 3.3 63.6 1.0
CB B:GLU92 3.5 58.4 1.0
SD B:MET65 3.8 67.1 1.0
CA B:GLU92 4.1 54.8 1.0
OE2 B:GLU92 4.3 64.5 1.0
N2 B:CPT203 4.3 50.8 0.5
OE1 B:GLU61 4.4 75.0 1.0
CG B:MET65 4.7 60.9 1.0

Chlorine binding site 2 out of 3 in 4rsz

Go back to Chlorine Binding Sites List in 4rsz
Chlorine binding site 2 out of 3 in the The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:51.3
occ:0.40
CL1 D:CPT202 0.0 51.3 0.4
PT1 D:CPT202 2.2 55.8 0.4
CG D:GLU92 2.4 65.3 1.0
SD D:MET65 2.7 67.6 1.0
OE1 D:GLU92 2.9 72.8 1.0
CD D:GLU92 3.1 68.7 1.0
N1 D:CPT202 3.4 51.2 0.4
CG D:MET65 3.4 66.9 1.0
CB D:GLU92 3.5 61.2 1.0
CA D:GLU92 3.9 56.6 1.0
CE D:MET65 4.0 65.0 1.0
N2 D:CPT202 4.3 48.9 0.4
OE2 D:GLU92 4.3 72.2 1.0
N D:GLU92 4.5 57.3 1.0
CE D:LYS88 4.9 95.4 1.0
CB D:MET65 4.9 65.0 1.0

Chlorine binding site 3 out of 3 in 4rsz

Go back to Chlorine Binding Sites List in 4rsz
Chlorine binding site 3 out of 3 in the The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The X-Ray Structure of the Primary Adduct Formed in the Reaction Between Cisplatin and Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl203

b:63.0
occ:0.50
CL1 F:CPT203 0.0 63.0 0.5
PT1 F:CPT203 2.3 58.5 0.5
OE2 F:GLU61 2.9 72.2 1.0
N1 F:CPT203 3.1 51.3 0.5
OE1 F:GLU61 3.2 69.7 1.0
CD F:GLU61 3.4 69.8 1.0
OE1 F:GLU92 3.5 75.3 1.0
CG F:GLU92 3.8 69.3 1.0
CD F:GLU92 3.8 72.5 1.0
CB F:GLU92 4.4 69.4 1.0
SD F:MET65 4.5 79.3 1.0
OE2 F:GLU92 4.8 74.8 1.0
CG F:GLU61 4.9 69.4 1.0

Reference:

G.Ferraro, L.Messori, A.Merlino. The X-Ray Structure of the Primary Adducts Formed in the Reaction Between Cisplatin and Cytochrome C Chem.Commun.(Camb.) 2014.
ISSN: ESSN 1364-548X
DOI: 10.1039/C4CC09056J
Page generated: Sat Dec 12 11:12:13 2020

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