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Chlorine in PDB 5ihg: The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand

Enzymatic activity of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand

All present enzymatic activity of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand:
3.2.1.17;

Protein crystallography data

The structure of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand, PDB code: 5ihg was solved by G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.85 / 1.75
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.575, 77.575, 37.253, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 20.3

Other elements in 5ihg:

The structure of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand also contains other interesting chemical elements:

Platinum (Pt) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand (pdb code 5ihg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand, PDB code: 5ihg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5ihg

Go back to Chlorine Binding Sites List in 5ihg
Chlorine binding site 1 out of 3 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:33.9
occ:1.00
 OG A:SER24 3.1 26.6 1.0
N A:GLY26 3.2 20.7 1.0
CB A:SER24 3.5 26.7 1.0
CA A:GLY26 3.6 20.8 1.0
CA A:GLN121 3.7 29.4 1.0
CD1 A:ILE124 3.8 33.2 1.0
N A:GLN121 4.0 28.4 1.0
CB A:GLN121 4.1 38.5 1.0
CG1 A:ILE124 4.2 30.8 1.0
N A:LEU25 4.2 24.1 1.0
CG A:GLN121 4.3 46.4 1.0
CG2 A:VAL120 4.3 29.2 1.0
O A:VAL120 4.3 26.1 1.0
C A:VAL120 4.3 27.8 1.0
C A:SER24 4.3 25.9 1.0
C A:LEU25 4.4 22.7 1.0
C A:GLY26 4.6 23.2 1.0
CA A:SER24 4.6 25.8 1.0
N A:ASN27 4.6 21.1 1.0
CA A:LEU25 4.7 24.1 1.0
O A:SER24 4.8 23.5 1.0
C A:GLN121 4.9 28.4 1.0

Chlorine binding site 2 out of 3 in 5ihg

Go back to Chlorine Binding Sites List in 5ihg
Chlorine binding site 2 out of 3 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:29.2
occ:1.00
 O A:HOH358 3.1 24.1 1.0
O A:HOH391 3.1 35.9 1.0
O A:HOH415 3.2 34.8 1.0
N A:THR69 3.2 25.7 1.0
O A:THR69 3.4 26.8 1.0
O A:HOH313 3.4 39.6 1.0
N A:ARG68 3.5 25.4 1.0
OD1 A:ASN65 3.6 29.1 1.0
OG A:SER72 3.6 30.3 1.0
C A:GLY67 3.6 27.2 1.0
N A:GLY67 3.7 25.1 1.0
CA A:GLY67 3.7 25.5 1.0
C A:THR69 3.8 25.5 1.0
CA A:THR69 3.9 25.8 1.0
O A:HOH371 3.9 23.4 1.0
O A:GLY67 4.2 28.5 1.0
CB A:THR69 4.2 25.3 1.0
C A:ARG68 4.2 26.4 1.0
CA A:ARG68 4.3 26.3 1.0
OD1 A:ASP66 4.3 21.4 1.0
NA A:NA206 4.6 26.4 1.0
N A:PRO70 4.6 30.3 1.0
C A:ASP66 4.7 24.4 1.0
CG A:ASN65 4.8 23.9 1.0
CB A:SER72 4.8 29.9 1.0
N A:ASP66 4.8 22.8 1.0
OG1 A:THR69 4.8 24.2 1.0
O A:HOH357 4.9 27.8 0.5

Chlorine binding site 3 out of 3 in 5ihg

Go back to Chlorine Binding Sites List in 5ihg
Chlorine binding site 3 out of 3 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound I, A Platin(II) Compound Containing A O, S Bidentate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:30.9
occ:1.00
 OH A:TYR23 2.9 21.8 1.0
O A:HOH341 3.5 27.6 1.0
CZ A:TYR23 3.6 21.7 1.0
CE2 A:TYR23 3.7 20.9 1.0
CA A:GLY104 4.2 22.3 1.0
O A:ARG21 4.6 26.9 1.0
CE1 A:TYR23 4.8 20.6 1.0
CD2 A:TYR23 4.9 21.6 1.0
N A:GLY104 4.9 23.0 1.0

Reference:

J.Hildebrandt, N.Hafner, H.Gorls, D.Kritsch, G.Ferraro, M.Durst, I.B.Runnebaum, A.Merlino, W.Weigand. Platinum(II) O,S Complexes As Potential Metallodrugs Against Cisplatin Resistance. Dalton Trans V. 45 18876 2016.
ISSN: ESSN 1477-9234
PubMed: 27897281
DOI: 10.1039/C6DT01388K
Page generated: Fri Jul 26 09:19:55 2024

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