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Chlorine in PDB 4s1y: X-Ray Structure of Human Serum Albumin Complexed with Cisplatin

Protein crystallography data

The structure of X-Ray Structure of Human Serum Albumin Complexed with Cisplatin, PDB code: 4s1y was solved by A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.46 / 3.16
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.789, 86.474, 59.141, 90.00, 103.70, 90.00
R / Rfree (%) 22.3 / 32.9

Other elements in 4s1y:

The structure of X-Ray Structure of Human Serum Albumin Complexed with Cisplatin also contains other interesting chemical elements:

Platinum (Pt) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Serum Albumin Complexed with Cisplatin (pdb code 4s1y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Human Serum Albumin Complexed with Cisplatin, PDB code: 4s1y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4s1y

Go back to Chlorine Binding Sites List in 4s1y
Chlorine binding site 1 out of 2 in the X-Ray Structure of Human Serum Albumin Complexed with Cisplatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Human Serum Albumin Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:57.6
occ:0.80
CL1 A:CPT601 0.0 57.6 0.8
PT1 A:CPT601 2.3 62.1 0.8
ND1 A:HIS105 3.1 79.8 1.0
N1 A:CPT601 3.1 62.0 0.8
CG A:HIS105 3.4 86.3 1.0
CB A:HIS105 3.6 74.8 1.0
CE1 A:HIS105 3.8 90.7 1.0
N2 A:CPT601 4.3 60.9 0.8
CD2 A:HIS105 4.3 90.8 1.0
O A:HIS105 4.5 62.0 1.0
NE2 A:HIS105 4.5 93.4 1.0
CA A:HIS105 4.6 65.6 1.0

Chlorine binding site 2 out of 2 in 4s1y

Go back to Chlorine Binding Sites List in 4s1y
Chlorine binding site 2 out of 2 in the X-Ray Structure of Human Serum Albumin Complexed with Cisplatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Human Serum Albumin Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:57.4
occ:0.80
CL1 A:CPT602 0.0 57.4 0.8
PT1 A:CPT602 2.3 58.0 0.8
N1 A:CPT602 3.1 53.3 0.8
SD A:MET329 3.2 50.0 1.0
CG A:MET329 3.5 44.2 1.0
CB A:PHE228 3.7 39.4 1.0
CB A:MET329 3.9 41.8 1.0
OE2 A:GLU333 4.1 36.2 1.0
CE2 A:TYR332 4.1 27.9 1.0
CD2 A:TYR332 4.2 27.6 1.0
CG A:PHE228 4.2 40.0 1.0
CE A:MET329 4.3 52.4 1.0
N2 A:CPT602 4.3 56.6 0.8
CA A:MET329 4.4 38.4 1.0
CD2 A:PHE228 4.6 40.8 1.0
CG A:GLU333 4.7 34.7 1.0
CD A:GLU333 4.8 36.3 1.0
CD1 A:PHE228 4.8 40.5 1.0
O A:MET329 4.8 33.8 1.0

Reference:

G.Ferraro, L.Massai, L.Messori, A.Merlino. Cisplatin Binding to Human Serum Albumin: A Structural Study. Chem.Commun.(Camb.) 2015.
ISSN: ESSN 1364-548X
PubMed: 25873085
DOI: 10.1039/C5CC01751C
Page generated: Wed Oct 28 12:09:15 2020

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