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Chlorine in PDB 4gcc: Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1

Enzymatic activity of Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1

All present enzymatic activity of Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1:
3.2.1.17;

Protein crystallography data

The structure of Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1, PDB code: 4gcc was solved by J.R.Helliwell, S.W.M.Tanley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.47 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.863, 79.863, 37.802, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 24.8

Other elements in 4gcc:

The structure of Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1 also contains other interesting chemical elements:

Platinum (Pt) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1 (pdb code 4gcc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1, PDB code: 4gcc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4gcc

Go back to Chlorine Binding Sites List in 4gcc
Chlorine binding site 1 out of 2 in the Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:49.5
occ:0.67
CL2 A:CPT205 0.0 49.5 0.7
PT1 A:CPT205 2.5 53.3 0.7
CL1 A:CPT205 2.8 47.2 0.7
N2 A:CPT205 2.9 54.6 0.7
OD1 A:ASN93 4.3 39.9 1.0
ND1 A:HIS15 4.7 39.0 1.0
NZ A:LYS96 4.9 25.5 1.0
O A:HIS15 5.0 34.9 1.0
CG2 A:THR89 5.0 31.2 1.0

Chlorine binding site 2 out of 2 in 4gcc

Go back to Chlorine Binding Sites List in 4gcc
Chlorine binding site 2 out of 2 in the Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room Temperature X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, Dataset 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:47.2
occ:0.67
CL1 A:CPT205 0.0 47.2 0.7
PT1 A:CPT205 2.4 53.3 0.7
CL2 A:CPT205 2.8 49.5 0.7
ND1 A:HIS15 3.2 39.0 1.0
OD1 A:ASN93 3.2 39.9 1.0
N2 A:CPT205 3.6 54.6 0.7
CB A:HIS15 3.7 33.7 1.0
CG1 A:VAL92 3.8 21.4 1.0
CG2 A:THR89 3.8 31.2 1.0
CG A:HIS15 3.8 35.2 1.0
O A:HIS15 3.8 34.9 1.0
CG A:ASN93 4.0 35.9 1.0
CE1 A:HIS15 4.2 40.2 1.0
O A:THR89 4.2 23.0 1.0
CB A:VAL92 4.2 20.8 1.0
CA A:HIS15 4.3 34.8 1.0
NZ A:LYS96 4.3 25.5 1.0
ND2 A:ASN93 4.5 40.7 1.0
CA A:THR89 4.5 27.4 1.0
C A:HIS15 4.5 34.2 1.0
N A:ASN93 4.6 24.4 1.0
CB A:THR89 4.7 29.7 1.0
C A:THR89 4.8 24.6 1.0
CD2 A:HIS15 5.0 36.2 1.0

Reference:

J.R.Helliwell, S.W.Tanley. The Crystal Structure Analysis of the Relative Binding of Cisplatin and Carboplatin in A Mixture with Histidine in A Protein Studied at 100 and 300 K with Repeated X-Ray Irradiation. Acta Crystallogr.,Sect.D V. 69 121 2013.
ISSN: ISSN 0907-4449
PubMed: 23275170
DOI: 10.1107/S090744491204423X
Page generated: Wed Oct 28 11:44:45 2020

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