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Chlorine in PDB 4yeo: Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement

Enzymatic activity of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement

All present enzymatic activity of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement:
3.2.1.17;

Protein crystallography data

The structure of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement, PDB code: 4yeo was solved by I.G.Shabalin, Z.Dauter, M.Jaskolski, W.Minor, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.26 / 0.98
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 26.998, 31.807, 34.072, 89.08, 72.00, 67.81
R / Rfree (%) 11.2 / 13.1

Other elements in 4yeo:

The structure of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement also contains other interesting chemical elements:

Platinum (Pt) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement (pdb code 4yeo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement, PDB code: 4yeo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4yeo

Go back to Chlorine Binding Sites List in 4yeo
Chlorine binding site 1 out of 2 in the Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:7.7
occ:0.25
CL2 A:CPT201 0.0 7.7 0.2
O A:HOH429 2.2 11.0 0.8
PT1 A:CPT201 2.3 5.8 0.2
O A:HOH497 2.9 21.7 1.0
CL1 A:CPT201 3.3 7.6 0.2
NE2 A:HIS15 3.3 18.0 0.6
CD2 A:HIS15 3.8 15.7 0.6
O A:ARG14 4.0 9.6 1.0
CD2 A:HIS15 4.0 15.3 0.4
CE1 A:HIS15 4.0 19.4 0.6
O A:HOH408 4.0 15.9 1.0
O A:HOH430 4.1 10.7 0.8
O A:HOH451 4.1 12.3 0.5
CB A:ARG14 4.1 8.8 1.0
NE2 A:HIS15 4.1 16.8 0.4
N1 A:CPT201 4.3 7.4 0.2
O A:HOH451 4.4 12.0 0.5
CD A:ARG14 4.5 11.2 1.0
C A:ARG14 4.5 7.8 1.0
CG A:HIS15 4.6 15.9 0.6
PT A:PT202 4.7 12.7 0.2
ND1 A:HIS15 4.7 17.6 0.6
CG A:ARG14 4.9 9.8 1.0
NE A:ARG14 4.9 11.6 1.0
CG A:HIS15 5.0 15.3 0.4
CA A:ARG14 5.0 7.7 1.0

Chlorine binding site 2 out of 2 in 4yeo

Go back to Chlorine Binding Sites List in 4yeo
Chlorine binding site 2 out of 2 in the Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:7.6
occ:0.25
CL1 A:CPT201 0.0 7.6 0.2
PT1 A:CPT201 2.3 5.8 0.2
O A:HOH429 2.6 11.0 0.8
N1 A:CPT201 3.1 7.4 0.2
CL2 A:CPT201 3.3 7.7 0.2
PT A:PT202 3.3 12.7 0.2
NE A:ARG14 3.7 11.6 1.0
CD A:ARG14 4.0 11.2 1.0
NE2 A:HIS15 4.2 18.0 0.6
O A:HOH451 4.4 12.0 0.5
NE2 A:HIS15 4.6 16.8 0.4
O A:HOH497 4.6 21.7 1.0
CZ A:ARG14 4.7 11.3 1.0
O A:HOH446 4.9 31.2 1.0
NH2 A:ARG14 5.0 13.1 1.0

Reference:

I.G.Shabalin, Z.Dauter, M.Jaskolski, W.Minor, A.Wlodawer. Crystallography and Chemistry Should Always Go Together: A Cautionary Tale of Protein Complexes with Cisplatin and Carboplatin To Be Published.
Page generated: Sat Dec 12 11:25:27 2020

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