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Chlorine in PDB 4n10: Crystal Structure of Plasmodium Falciparum Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin

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

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

Protein crystallography data

The structure of Crystal Structure of Plasmodium Falciparum Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin, PDB code: 4n10 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) 23.35 / 1.87
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 48.652, 48.652, 83.234, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 22.3

Other elements in 4n10:

The structure of Crystal Structure of Plasmodium Falciparum Oxidized 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 Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin (pdb code 4n10). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Falciparum Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin, PDB code: 4n10:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4n10

Go back to Chlorine Binding Sites List in 4n10
Chlorine binding site 1 out of 5 in the Crystal Structure of Plasmodium Falciparum Oxidized 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 Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:38.3
occ:0.40
 CL1 A:CPT203 0.0 38.3 0.4
PT1 A:CPT203 2.3 36.8 0.4
O A:HOH354 2.7 45.4 1.0
O A:HOH321 2.7 36.9 1.0
SD A:MET59 3.0 35.7 1.0
O A:HOH369 3.5 40.1 1.0
CB A:MET59 3.7 30.9 1.0
CG A:MET59 3.7 41.0 1.0
CE A:MET59 4.5 47.8 1.0
O A:HOH309 4.7 36.5 1.0
CA A:MET59 4.9 26.5 1.0
OE1 A:GLN63 5.0 32.2 0.5
N A:ALA60 5.0 23.4 1.0

Chlorine binding site 2 out of 5 in 4n10

Go back to Chlorine Binding Sites List in 4n10
Chlorine binding site 2 out of 5 in the Crystal Structure of Plasmodium Falciparum Oxidized 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 Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:44.6
occ:0.54
 CL2 A:CPT204 0.0 44.6 0.5
PT1 A:CPT205 0.5 38.4 0.5
CL2 A:CPT205 2.2 43.5 0.5
CL1 A:CPT205 2.2 40.4 0.5
PT1 A:CPT204 2.3 31.6 0.5
N1 A:CPT205 2.5 36.3 0.5
ND1 A:HIS49 2.9 50.0 1.0
O A:MET48 3.2 29.4 0.5
O A:MET48 3.3 29.4 0.5
O A:HOH347 3.4 36.2 0.9
CL1 A:CPT204 3.5 37.3 0.5
CA A:HIS49 3.5 30.0 1.0
CB A:HIS49 3.6 34.9 1.0
CG A:HIS49 3.7 41.1 1.0
CE1 A:HIS49 4.0 45.1 1.0
C A:MET48 4.1 29.2 0.5
C A:MET48 4.2 29.2 0.5
O A:HOH345 4.3 37.5 0.8
N A:HIS49 4.4 25.7 1.0
N A:VAL50 4.6 24.8 1.0
C A:HIS49 4.6 26.8 1.0
N1 A:CPT204 4.9 35.8 0.5
CD2 A:HIS49 4.9 50.5 1.0

Chlorine binding site 3 out of 5 in 4n10

Go back to Chlorine Binding Sites List in 4n10
Chlorine binding site 3 out of 5 in the Crystal Structure of Plasmodium Falciparum Oxidized 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 Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:37.3
occ:0.54
 CL1 A:CPT204 0.0 37.3 0.5
N1 A:CPT205 1.2 36.3 0.5
PT1 A:CPT204 2.4 31.6 0.5
O A:HOH336 2.5 42.1 1.0
N1 A:CPT204 3.2 35.8 0.5
PT1 A:CPT205 3.3 38.4 0.5
CL2 A:CPT204 3.5 44.6 0.5
O A:HOH345 3.6 37.5 0.8
CL2 A:CPT205 3.8 43.5 0.5
OD1 A:ASN19 4.3 30.7 1.0
O A:HOH347 4.5 36.2 0.9
ND1 A:HIS49 4.6 50.0 1.0
O A:HOH311 5.0 32.9 1.0

Chlorine binding site 4 out of 5 in 4n10

Go back to Chlorine Binding Sites List in 4n10
Chlorine binding site 4 out of 5 in the Crystal Structure of Plasmodium Falciparum Oxidized 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 4 of Crystal Structure of Plasmodium Falciparum Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:43.5
occ:0.46
 CL2 A:CPT205 0.0 43.5 0.5
CL2 A:CPT204 2.2 44.6 0.5
PT1 A:CPT205 2.5 38.4 0.5
O A:HOH347 3.0 36.2 0.9
N1 A:CPT205 3.4 36.3 0.5
CL1 A:CPT205 3.5 40.4 0.5
CL1 A:CPT204 3.8 37.3 0.5
PT1 A:CPT204 3.8 31.6 0.5
O A:HOH345 4.4 37.5 0.8
O A:MET48 4.4 29.4 0.5
O A:MET48 4.4 29.4 0.5
ND1 A:HIS49 4.9 50.0 1.0

Chlorine binding site 5 out of 5 in 4n10

Go back to Chlorine Binding Sites List in 4n10
Chlorine binding site 5 out of 5 in the Crystal Structure of Plasmodium Falciparum Oxidized 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 5 of Crystal Structure of Plasmodium Falciparum Oxidized Glutaredoxin 1 (PFGRX1) Complexed with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:40.4
occ:0.46
 CL1 A:CPT205 0.0 40.4 0.5
CL2 A:CPT204 2.2 44.6 0.5
PT1 A:CPT205 2.3 38.4 0.5
ND1 A:HIS49 3.0 50.0 1.0
N A:VAL50 3.2 24.8 1.0
CA A:HIS49 3.4 30.0 1.0
CL2 A:CPT205 3.5 43.5 0.5
CG A:HIS49 3.7 41.1 1.0
C A:HIS49 3.8 26.8 1.0
CE1 A:HIS49 3.8 45.1 1.0
PT1 A:CPT204 3.9 31.6 0.5
O A:MET48 3.9 29.4 0.5
O A:MET48 3.9 29.4 0.5
CB A:HIS49 4.0 34.9 1.0
O A:VAL50 4.2 25.9 1.0
CA A:VAL50 4.3 25.9 1.0
N A:HIS49 4.5 25.7 1.0
C A:MET48 4.6 29.2 0.5
C A:MET48 4.6 29.2 0.5
N1 A:CPT205 4.6 36.3 0.5
CB A:VAL50 4.6 24.0 1.0
C A:VAL50 4.7 26.5 1.0
CD2 A:HIS49 4.7 50.5 1.0
NE2 A:HIS49 4.7 46.8 1.0
O A:HOH347 5.0 36.2 0.9
O A:HIS49 5.0 25.5 1.0

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 20:25:29 2024

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