Atomistry » Chlorine » PDB 3khp-3ktf » 3kmo
Atomistry »
  Chlorine »
    PDB 3khp-3ktf »
      3kmo »

Chlorine in PDB 3kmo: Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt)

Enzymatic activity of Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt)

All present enzymatic activity of Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt):
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt), PDB code: 3kmo was solved by L.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.69 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 75.902, 89.348, 69.383, 90.00, 90.07, 90.00
R / Rfree (%) 16.5 / 25.4

Other elements in 3kmo:

The structure of Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt) also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt) (pdb code 3kmo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt), PDB code: 3kmo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3kmo

Go back to Chlorine Binding Sites List in 3kmo
Chlorine binding site 1 out of 4 in the Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt)


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 the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:28.9
occ:0.70
 CL1 A:EAA214 0.0 28.9 0.7
C2 A:EAA214 1.8 28.8 0.7
C3 A:EAA214 2.8 28.8 0.7
C1 A:EAA214 2.9 29.1 0.7
CL2 A:EAA214 3.1 30.9 0.7
O2 A:EAA214 3.1 30.2 0.7
CG A:PHE8 3.7 14.9 1.0
CB A:PHE8 3.7 14.1 1.0
O A:HOH275 3.8 22.5 1.0
CA A:GLY205 3.9 15.6 1.0
CD2 A:PHE8 4.0 14.8 1.0
CD1 A:PHE8 4.1 15.5 1.0
C6 A:EAA214 4.1 28.7 0.7
C4 A:EAA214 4.2 29.2 0.7
C12 A:EAA214 4.3 32.3 0.7
CG2 A:VAL10 4.3 11.7 1.0
CG2 A:VAL35 4.5 28.4 1.0
C5 A:EAA214 4.6 29.9 0.7
N A:GLY205 4.6 15.4 1.0
CE2 A:PHE8 4.7 13.4 1.0
CE1 A:PHE8 4.8 16.9 1.0
C A:GLY205 4.9 16.3 1.0
CB A:VAL10 5.0 13.3 1.0

Chlorine binding site 2 out of 4 in 3kmo

Go back to Chlorine Binding Sites List in 3kmo
Chlorine binding site 2 out of 4 in the Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt)


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 the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:30.9
occ:0.70
 CL2 A:EAA214 0.0 30.9 0.7
C3 A:EAA214 1.8 28.8 0.7
C9 A:EAA214 2.6 29.6 0.7
C2 A:EAA214 2.7 28.8 0.7
C4 A:EAA214 2.9 29.2 0.7
C8 A:EAA214 2.9 29.6 0.7
CL1 A:EAA214 3.1 28.9 0.7
C7 A:EAA214 3.3 29.5 0.7
C10 A:EAA214 3.5 26.9 0.7
N A:GLY205 3.6 15.4 1.0
O A:HOH249 3.7 10.4 1.0
CG1 A:VAL10 3.8 11.7 1.0
C11 A:EAA214 3.8 29.8 0.7
CA A:GLY205 3.9 15.6 1.0
C5 A:EAA214 4.1 29.9 0.7
C1 A:EAA214 4.1 29.1 0.7
CG2 A:VAL10 4.1 11.7 1.0
CB A:VAL10 4.3 13.3 1.0
C A:ASN204 4.5 14.2 1.0
O1 A:EAA214 4.5 30.5 0.7
C6 A:EAA214 4.6 28.7 0.7
OH A:TYR7 4.6 16.1 1.0
CD2 A:PHE8 4.7 14.8 1.0
CB2 A:GSH210 4.8 25.2 1.0
CA A:ASN204 4.8 12.5 1.0
O A:HOH275 5.0 22.5 1.0
CB A:PHE8 5.0 14.1 1.0

Chlorine binding site 3 out of 4 in 3kmo

Go back to Chlorine Binding Sites List in 3kmo
Chlorine binding site 3 out of 4 in the Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt)


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 the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl213

b:29.7
occ:0.70
 CL1 B:EAA213 0.0 29.7 0.7
C2 B:EAA213 1.8 29.6 0.7
C3 B:EAA213 2.8 29.1 0.7
C1 B:EAA213 2.9 29.0 0.7
CL2 B:EAA213 3.0 31.0 0.7
O2 B:EAA213 3.1 29.4 0.7
O B:HOH270 3.1 24.0 1.0
CB B:PHE8 3.6 14.0 1.0
CG B:PHE8 3.6 14.7 1.0
CD1 B:PHE8 3.9 13.6 1.0
CG2 B:VAL35 4.0 29.0 1.0
CD2 B:PHE8 4.1 16.3 1.0
C6 B:EAA213 4.1 28.6 0.7
C4 B:EAA213 4.2 28.5 0.7
CA B:GLY205 4.2 14.2 1.0
C12 B:EAA213 4.2 28.7 0.7
CG1 B:VAL10 4.3 12.6 1.0
C5 B:EAA213 4.6 29.4 0.7
CE1 B:PHE8 4.7 14.3 1.0
CE2 B:PHE8 4.8 13.2 1.0
N B:GLY205 5.0 14.2 1.0

Chlorine binding site 4 out of 4 in 3kmo

Go back to Chlorine Binding Sites List in 3kmo
Chlorine binding site 4 out of 4 in the Crystal Structure of the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt)


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 the Human Gst Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent Dtt) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl213

b:31.0
occ:0.70
 CL2 B:EAA213 0.0 31.0 0.7
C3 B:EAA213 1.8 29.1 0.7
C2 B:EAA213 2.7 29.6 0.7
C8 B:EAA213 2.8 30.9 0.7
C11 B:EAA213 2.8 32.7 0.7
C4 B:EAA213 2.9 28.5 0.7
CL1 B:EAA213 3.0 29.7 0.7
C7 B:EAA213 3.2 29.0 0.7
C9 B:EAA213 3.4 29.7 0.7
N B:GLY205 3.6 14.2 1.0
CG2 B:VAL10 3.6 10.6 1.0
CA B:GLY205 3.8 14.2 1.0
CG1 B:VAL10 3.8 12.6 1.0
C1 B:EAA213 4.1 29.0 0.7
C5 B:EAA213 4.1 29.4 0.7
CB B:VAL10 4.3 12.3 1.0
O1 B:EAA213 4.4 28.3 0.7
C B:ASN204 4.5 13.7 1.0
CD2 B:PHE8 4.5 16.3 1.0
C10 B:EAA213 4.6 28.7 0.7
C6 B:EAA213 4.6 28.6 0.7
CB B:PHE8 4.6 14.0 1.0
CG B:PHE8 4.8 14.7 1.0
OH B:TYR7 4.9 12.7 1.0
CA B:ASN204 4.9 12.3 1.0
CB2 B:GSH210 5.0 24.7 1.0

Reference:

I.Quesada-Soriano, L.J.Parker, A.Primavera, J.Wielens, J.K.Holien, J.M.Casas-Solvas, A.Vargas-Berenguel, A.Aguilera, N.Nuccetelli, A.P.Mazzetti, M.Lo Bello, M.W.Parker, L.Garcia-Fuentes. Diuretic Drug Binding to Human Glutathione Transferase P1-1: Potential Role of CYS101 Revealed in the Double Mutant C47S/Y108V To Be Published.
Page generated: Sat Jul 20 22:44:32 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy