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Chlorine in PDB 5ilc: The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, 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 2, 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 2, 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 2, A Platin(II) Compound Containing A O, S Bidentate Ligand, PDB code: 5ilc was solved by A.Merlino, G.Ferraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.74 / 1.75
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.407, 77.407, 37.347, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 21.1

Other elements in 5ilc:

The structure of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, 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 2, A Platin(II) Compound Containing A O, S Bidentate Ligand (pdb code 5ilc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 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 2, A Platin(II) Compound Containing A O, S Bidentate Ligand, PDB code: 5ilc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5ilc

Go back to Chlorine Binding Sites List in 5ilc
Chlorine binding site 1 out of 5 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, 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 2, A Platin(II) Compound Containing A O, S Bidentate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:26.9
occ:1.00
 OH A:TYR23 2.9 19.4 1.0
O A:HOH342 3.4 24.6 1.0
CZ A:TYR23 3.6 19.2 1.0
CE2 A:TYR23 3.7 18.0 1.0
CA A:GLY104 4.3 19.0 1.0
O A:ARG21 4.5 22.0 1.0
CE1 A:TYR23 4.8 17.4 1.0
CD2 A:TYR23 4.9 18.9 1.0
N A:GLY104 5.0 20.0 1.0

Chlorine binding site 2 out of 5 in 5ilc

Go back to Chlorine Binding Sites List in 5ilc
Chlorine binding site 2 out of 5 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, 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 2, A Platin(II) Compound Containing A O, S Bidentate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:28.6
occ:1.00
 O A:HOH363 3.1 20.1 1.0
O A:HOH419 3.2 34.3 1.0
N A:THR69 3.2 24.5 1.0
O A:THR69 3.3 22.3 1.0
C A:GLY67 3.6 26.2 1.0
OD1 A:ASN65 3.6 23.4 1.0
CA A:GLY67 3.6 22.6 1.0
N A:ARG68 3.6 23.3 1.0
C A:THR69 3.7 23.3 1.0
N A:GLY67 3.7 20.9 1.0
OG A:SER72 3.7 24.6 1.0
CA A:THR69 3.9 23.1 1.0
O A:HOH390 4.0 22.4 1.0
O A:GLY67 4.1 29.4 1.0
CB A:THR69 4.2 23.0 1.0
C A:ARG68 4.2 23.7 1.0
OD1 A:ASP66 4.2 19.5 1.0
CA A:ARG68 4.3 26.0 1.0
N A:PRO70 4.6 27.5 1.0
NA A:NA208 4.6 23.9 1.0
CG A:ASN65 4.8 23.2 1.0
C A:ASP66 4.8 20.0 1.0
OG1 A:THR69 4.8 19.9 1.0
N A:ASP66 4.8 19.4 1.0
CB A:SER72 5.0 29.7 1.0

Chlorine binding site 3 out of 5 in 5ilc

Go back to Chlorine Binding Sites List in 5ilc
Chlorine binding site 3 out of 5 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, 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 2, A Platin(II) Compound Containing A O, S Bidentate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:31.6
occ:1.00
 OG A:SER24 3.0 22.9 1.0
N A:GLY26 3.2 17.3 1.0
O A:HOH422 3.4 44.3 1.0
CB A:SER24 3.5 22.7 1.0
CA A:GLY26 3.6 20.0 1.0
CA A:GLN121 3.6 26.1 1.0
CD1 A:ILE124 3.9 32.9 1.0
CB A:GLN121 4.0 32.3 1.0
N A:GLN121 4.0 25.5 1.0
N A:LEU25 4.2 18.7 1.0
CG1 A:ILE124 4.3 29.3 1.0
CG2 A:VAL120 4.3 26.1 1.0
O A:VAL120 4.3 21.3 1.0
C A:LEU25 4.3 19.7 1.0
C A:VAL120 4.3 23.3 1.0
C A:SER24 4.3 20.2 1.0
CG A:GLN121 4.3 38.5 1.0
C A:GLY26 4.6 20.1 1.0
CA A:SER24 4.6 21.4 1.0
N A:ASN27 4.6 18.0 1.0
CA A:LEU25 4.7 20.0 1.0
O A:SER24 4.8 20.4 1.0
C A:GLN121 4.9 24.8 1.0
O A:HOH372 4.9 17.0 0.5

Chlorine binding site 4 out of 5 in 5ilc

Go back to Chlorine Binding Sites List in 5ilc
Chlorine binding site 4 out of 5 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, 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 4 of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, A Platin(II) Compound Containing A O, S Bidentate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:38.8
occ:1.00
 N A:ILE88 3.3 23.2 1.0
O A:HOH312 3.5 42.2 1.0
OD1 A:ASP87 3.6 29.0 0.5
CG1 A:ILE88 3.7 22.9 1.0
CA A:ASP87 3.7 25.6 0.5
CA A:ASP87 3.8 25.7 0.5
NH1 A:ARG14 4.0 36.5 1.0
C A:ASP87 4.0 23.4 0.5
NE2 A:HIS15 4.0 30.2 1.0
C A:ASP87 4.0 23.5 0.5
OD2 A:ASP87 4.1 28.7 0.5
CG A:ASP87 4.1 30.0 0.5
CZ A:PHE3 4.2 27.0 1.0
CB A:ALA11 4.2 21.9 1.0
O A:SER86 4.2 35.2 1.0
CB A:ILE88 4.2 20.8 1.0
CG2 A:ILE88 4.2 22.5 1.0
CA A:ILE88 4.3 24.1 1.0
CB A:ASP87 4.4 27.3 0.5
CG A:ASP87 4.4 29.2 0.5
CD2 A:HIS15 4.5 28.9 1.0
OD1 A:ASP87 4.5 28.5 0.5
CD1 A:ILE88 4.6 22.2 1.0
CB A:ASP87 4.7 26.4 0.5
CE2 A:PHE3 4.7 25.0 1.0
N A:ASP87 4.8 27.3 0.5
N A:ASP87 4.8 27.4 0.5
C A:SER86 4.9 26.9 1.0
N A:THR89 5.0 20.7 1.0

Chlorine binding site 5 out of 5 in 5ilc

Go back to Chlorine Binding Sites List in 5ilc
Chlorine binding site 5 out of 5 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, 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 5 of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme A Compound 2, A Platin(II) Compound Containing A O, S Bidentate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:41.6
occ:1.00
 O A:HOH406 3.1 25.6 1.0
ND2 A:ASN65 3.3 28.6 1.0
CA A:PRO79 3.8 23.1 1.0
CB A:PRO79 3.8 24.2 1.0
CB A:ASN65 3.9 21.9 1.0
N A:PRO79 4.0 24.0 1.0
CG A:ASN65 4.0 23.2 1.0
CG A:PRO79 4.2 29.2 1.0
CD A:PRO79 4.3 24.7 1.0
O A:ASN65 4.3 19.8 1.0
C A:ILE78 4.6 25.0 0.5
C A:ILE78 4.6 25.2 0.5
O A:ILE78 4.8 21.4 0.5
O A:ILE78 4.9 21.9 0.5
C A:ASN65 4.9 19.4 1.0
CA A:ASN65 5.0 19.9 1.0
O A:HOH391 5.0 21.4 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 09:23:00 2024

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