Chlorine in PDB 7woj: Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week

Protein crystallography data

The structure of Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week, PDB code: 7woj was solved by S.L.Chen, C.Yuan, L.G.Jiang, Z.P.Luo, M.D.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.41 / 2.89
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 169.91, 36.69, 90.01, 90, 105.41, 90
R / Rfree (%) 25.8 / 28.4

Other elements in 7woj:

The structure of Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week also contains other interesting chemical elements:

Platinum (Pt) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week (pdb code 7woj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week, PDB code: 7woj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7woj

Go back to Chlorine Binding Sites List in 7woj
Chlorine binding site 1 out of 3 in the Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:126.9
occ:0.92
CL1 A:CPT601 0.0 126.9 0.9
PT1 A:CPT601 2.3 155.9 0.9
CE1 A:HIS338 2.9 94.0 1.0
NE2 A:HIS338 2.9 102.3 1.0
N1 A:CPT601 3.2 161.6 0.9
CD2 A:HIS338 4.1 102.6 1.0
ND1 A:HIS338 4.1 100.3 1.0
N2 A:CPT601 4.3 99.6 0.9
CG A:HIS338 4.8 96.3 1.0
O A:ARG337 5.0 86.7 1.0

Chlorine binding site 2 out of 3 in 7woj

Go back to Chlorine Binding Sites List in 7woj
Chlorine binding site 2 out of 3 in the Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:85.2
occ:0.75
CL1 A:CPT602 0.0 85.2 0.8
PT1 A:CPT602 2.3 131.0 0.8
N1 A:CPT602 3.1 86.5 0.8
SD A:MET329 3.1 82.6 1.0
CD2 A:PHE228 3.3 125.8 1.0
CG A:MET329 3.4 104.4 1.0
CB A:PHE228 3.5 95.4 1.0
CG A:PHE228 3.7 112.0 1.0
CE A:MET329 3.9 107.1 1.0
CE2 A:PHE228 4.2 116.7 1.0
N2 A:CPT602 4.4 100.5 0.8
CB A:MET329 4.5 100.6 1.0
CD1 A:PHE228 4.8 95.8 1.0
CA A:PHE228 4.9 69.9 1.0

Chlorine binding site 3 out of 3 in 7woj

Go back to Chlorine Binding Sites List in 7woj
Chlorine binding site 3 out of 3 in the Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hsa-Myr Complex Soaked with Cisplatin For One Week within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:101.8
occ:0.60
CL1 A:CPT604 0.0 101.8 0.6
PT1 A:CPT604 2.4 113.7 0.6
ND1 A:HIS128 3.1 114.3 1.0
N1 A:CPT604 3.2 97.8 0.6
CG A:HIS128 3.6 110.5 1.0
CB A:HIS128 3.7 99.1 1.0
CE1 A:HIS128 3.9 103.6 1.0
N2 A:CPT604 4.4 90.1 0.6
CA A:HIS128 4.5 84.3 1.0
CD2 A:HIS128 4.6 130.5 1.0
NE2 A:HIS128 4.7 108.4 1.0
CB A:CYS169 4.9 94.6 1.0

Reference:

S.L.Chen, C.Yuan, L.G.Jiang, Z.P.Luo, M.D.Huang. Crystallographic Analysis of Interaction Between Cisplatin and Human Serum Albumin: Effect of Fatty Acid. Int.J.Biol.Macromol. V. 216 172 2022.
ISSN: ISSN 0141-8130
PubMed: 35788007
DOI: 10.1016/J.IJBIOMAC.2022.06.181
Page generated: Tue Apr 4 22:14:19 2023

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