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Chlorine in PDB 4g4h: 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage

Enzymatic activity of 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage

All present enzymatic activity of 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage:
3.2.1.17;

Protein crystallography data

The structure of 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage, PDB code: 4g4h was solved by S.W.M.Tanley, A.M.M.Schreurs, L.M.J.Kroon-Batenburg, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.57 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.177, 77.177, 36.709, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 26.8

Other elements in 4g4h:

The structure of 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage also contains other interesting chemical elements:

Platinum (Pt) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage (pdb code 4g4h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage, PDB code: 4g4h:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4g4h

Go back to Chlorine Binding Sites List in 4g4h
Chlorine binding site 1 out of 3 in the 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:23.2
occ:1.00
O A:HOH327 2.9 36.3 1.0
OG A:SER24 3.0 15.5 1.0
N A:GLY26 3.1 13.6 1.0
CB A:SER24 3.5 15.4 1.0
CA A:GLY26 3.5 13.4 1.0
CA A:GLN121 3.7 22.5 1.0
CD1 A:ILE124 3.8 18.0 1.0
N A:LEU25 4.0 13.2 1.0
N A:GLN121 4.1 20.7 1.0
CB A:GLN121 4.1 27.3 1.0
C A:SER24 4.2 14.2 1.0
C A:LEU25 4.2 12.9 1.0
CG1 A:ILE124 4.3 18.3 1.0
CG2 A:VAL120 4.4 16.4 1.0
O A:VAL120 4.4 19.0 1.0
CG A:GLN121 4.4 33.5 1.0
C A:VAL120 4.4 19.1 1.0
CA A:SER24 4.5 14.6 1.0
CA A:LEU25 4.6 13.4 1.0
C A:GLY26 4.6 13.4 1.0
N A:ASN27 4.7 13.1 1.0
O A:SER24 4.7 12.8 1.0
CB A:LEU25 4.9 13.3 1.0
C A:GLN121 4.9 21.2 1.0

Chlorine binding site 2 out of 3 in 4g4h

Go back to Chlorine Binding Sites List in 4g4h
Chlorine binding site 2 out of 3 in the 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:22.1
occ:1.00
OH A:TYR23 3.0 12.3 1.0
CZ A:TYR23 3.8 12.5 1.0
CE2 A:TYR23 3.8 12.4 1.0
CA A:GLY104 4.2 16.1 1.0
O A:ARG21 4.5 21.1 1.0
N A:GLY104 4.8 17.7 1.0
CD2 A:TYR23 5.0 12.4 1.0

Chlorine binding site 3 out of 3 in 4g4h

Go back to Chlorine Binding Sites List in 4g4h
Chlorine binding site 3 out of 3 in the 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 100K X-Ray Diffraction Study of Carboplatin Binding to Hewl in Dmso Media After 13 Months of Crystal Storage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:21.3
occ:1.00
O A:HOH317 2.9 15.1 1.0
OG A:SER72 3.2 23.4 1.0
N A:THR69 3.3 19.1 1.0
O A:THR69 3.4 19.8 1.0
N A:ARG68 3.5 17.4 1.0
C A:GLY67 3.6 18.0 1.0
CA A:GLY67 3.6 17.8 1.0
OD1 A:ASN65 3.6 19.0 1.0
N A:GLY67 3.7 16.7 1.0
C A:THR69 3.9 21.3 1.0
CA A:THR69 4.0 19.4 1.0
O A:GLY67 4.2 19.3 1.0
OD1 A:ASP66 4.3 15.4 1.0
CB A:THR69 4.3 18.0 1.0
C A:ARG68 4.3 19.1 1.0
CA A:ARG68 4.3 18.9 1.0
CB A:SER72 4.5 25.1 1.0
N A:PRO70 4.8 24.7 1.0
CG A:ASN65 4.8 17.7 1.0
O A:HOH329 4.8 13.4 0.5
C A:ASP66 4.8 16.5 1.0
N A:ASP66 4.9 17.0 1.0
OG1 A:THR69 4.9 17.1 1.0

Reference:

S.W.Tanley, A.M.Schreurs, L.M.Kroon-Batenburg, J.R.Helliwell. Room-Temperature X-Ray Diffraction Studies of Cisplatin and Carboplatin Binding to HIS15 of Hewl After Prolonged Chemical Exposure. Acta Crystallogr.,Sect.F V. 68 1300 2012.
ISSN: ESSN 1744-3091
PubMed: 23143236
DOI: 10.1107/S1744309112042005
Page generated: Wed Oct 28 11:44:23 2020

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