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Chlorine in PDB 4n11: Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin

Enzymatic activity of Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin

All present enzymatic activity of Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin:
1.20.4.1;

Protein crystallography data

The structure of Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin, PDB code: 4n11 was solved by M.Yogavel, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.46 / 1.97
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 48.478, 48.478, 82.391, 90.00, 90.00, 120.00
R / Rfree (%) 15.7 / 20.8

Other elements in 4n11:

The structure of Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin also contains other interesting chemical elements:

Platinum (Pt) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin (pdb code 4n11). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin, PDB code: 4n11:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4n11

Go back to Chlorine Binding Sites List in 4n11
Chlorine binding site 1 out of 3 in the Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:29.5
occ:0.40
 CL1 A:CPT204 0.0 29.5 0.4
N1 A:CPT204 0.2 35.3 0.3
PT1 A:CPT204 2.3 39.1 0.3
PT1 A:CPT204 2.3 39.1 0.3
N2 A:CPT204 2.3 33.1 0.3
PT1 A:CPT204 2.3 36.2 0.4
NZ A:LYS26 2.9 50.6 0.5
N1 A:CPT204 3.1 38.6 0.4
N1 A:CPT204 3.3 39.4 0.3
CB A:CYS29 3.3 26.4 1.0
CA A:CYS29 3.5 25.2 1.0
CL1 A:CPT204 3.5 38.3 0.3
CL1 A:CPT204 3.6 31.1 0.3
O A:GLU28 3.6 26.5 1.0
SG A:CYS29 3.7 34.5 1.0
CE A:LYS26 3.8 48.0 0.5
N A:CYS29 4.2 25.8 1.0
N2 A:CPT204 4.2 31.6 0.4
C A:GLU28 4.2 29.3 1.0
CD A:PRO30 4.4 25.6 1.0
O A:THR27 4.5 27.6 1.0
CD A:LYS26 4.5 40.0 0.5
CG A:LYS26 4.6 38.5 0.5
C A:CYS29 4.7 22.7 1.0
CG A:LYS26 4.7 38.5 0.5
CD A:LYS26 4.8 40.0 0.5
N A:PRO30 5.0 21.7 1.0

Chlorine binding site 2 out of 3 in 4n11

Go back to Chlorine Binding Sites List in 4n11
Chlorine binding site 2 out of 3 in the Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:31.1
occ:0.30
 CL1 A:CPT204 0.0 31.1 0.3
PT1 A:CPT204 2.1 36.2 0.4
PT1 A:CPT204 2.1 39.1 0.3
PT1 A:CPT204 2.1 39.1 0.3
N2 A:CPT204 2.3 31.6 0.4
SG A:CYS29 3.0 34.5 1.0
O A:HOH377 3.1 26.6 0.6
N1 A:CPT204 3.1 39.4 0.3
N1 A:CPT204 3.2 38.6 0.4
N1 A:CPT204 3.6 35.3 0.3
CL1 A:CPT204 3.6 29.5 0.4
CL1 A:CPT204 3.7 38.3 0.3
CD A:PRO30 3.8 25.6 1.0
CD2 A:TYR31 3.8 24.5 1.0
N A:TYR31 4.0 19.7 1.0
N2 A:CPT204 4.0 33.1 0.3
N A:PRO30 4.1 21.7 1.0
CB A:CYS29 4.1 26.4 1.0
CA A:CYS29 4.2 25.2 1.0
C A:CYS29 4.3 22.7 1.0
CB A:TYR31 4.3 18.3 1.0
CG A:TYR31 4.5 22.3 1.0
NZ A:LYS26 4.5 50.6 0.5
CG A:PRO30 4.6 24.4 1.0
CA A:TYR31 4.7 20.4 1.0
CE2 A:TYR31 4.7 29.1 1.0
CB A:PRO30 4.8 23.9 1.0
CA A:PRO30 4.8 22.6 1.0
C A:PRO30 4.9 21.4 1.0
O A:CYS29 5.0 21.9 1.0

Chlorine binding site 3 out of 3 in 4n11

Go back to Chlorine Binding Sites List in 4n11
Chlorine binding site 3 out of 3 in the Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Plasmodium Falciparum Reduced Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:38.3
occ:0.30
 CL1 A:CPT204 0.0 38.3 0.3
N1 A:CPT204 0.9 38.6 0.4
N1 A:CPT204 1.0 39.4 0.3
PT1 A:CPT204 2.9 36.2 0.4
PT1 A:CPT204 2.9 39.1 0.3
PT1 A:CPT204 2.9 39.1 0.3
N2 A:CPT204 3.5 33.1 0.3
N2 A:CPT204 3.5 31.6 0.4
CL1 A:CPT204 3.5 29.5 0.4
N1 A:CPT204 3.7 35.3 0.3
CL1 A:CPT204 3.7 31.1 0.3
NZ A:LYS26 3.9 50.6 0.5
CE A:LYS26 4.7 48.0 0.5
O A:HOH377 4.7 26.6 0.6

Reference:

M.Yogavel, T.Tripathi, S.Rahlfs, K.Becker, A.Sharma. Interaction of Cisplatin with Plasmodium Falciparum Glutaredoxin 1 To Be Published.
Page generated: Sun Jul 21 20:25:54 2024

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