Atomistry » Chlorine » PDB 3ck1-3csv » 3csh
Atomistry »
  Chlorine »
    PDB 3ck1-3csv »
      3csh »

Chlorine in PDB 3csh: Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate

Enzymatic activity of Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate

All present enzymatic activity of Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate:
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate, PDB code: 3csh 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) 18.69 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 77.346, 89.358, 68.946, 90.00, 98.03, 90.00
R / Rfree (%) 17 / 20

Other elements in 3csh:

The structure of Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate (pdb code 3csh). 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 Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate, PDB code: 3csh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3csh

Go back to Chlorine Binding Sites List in 3csh
Chlorine binding site 1 out of 4 in the Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate


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 Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:18.0
occ:0.80
 O A:HOH250 2.9 15.6 1.0
O A:HOH488 2.9 24.7 1.0
O A:HOH249 3.2 13.9 1.0
O A:HOH517 3.4 12.4 0.8
SG2 A:GSH213 3.6 3.0 0.2
CG A:ARG13 3.6 7.4 1.0
N A:ARG13 3.8 8.0 1.0
CD1 A:ILE104 3.9 10.1 1.0
CA A:GLY12 3.9 9.1 1.0
OH A:TYR7 3.9 10.7 1.0
C A:GLY12 4.1 9.3 1.0
CG1 A:ILE104 4.1 11.8 1.0
O A:HOH487 4.2 12.9 1.0
CD A:ARG13 4.3 6.9 1.0
CB A:ARG13 4.3 8.2 1.0
NE A:ARG13 4.4 8.4 1.0
C12 A:LZ6212 4.5 20.8 0.8
O A:HOH224 4.5 11.3 1.0
CA A:ARG13 4.6 7.2 1.0
CE2 A:TYR108 4.7 16.5 1.0
OH A:TYR108 4.8 16.7 1.0
CG2 A:ILE104 4.9 12.6 1.0

Chlorine binding site 2 out of 4 in 3csh

Go back to Chlorine Binding Sites List in 3csh
Chlorine binding site 2 out of 4 in the Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate


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 Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:39.6
occ:0.80
 CL10 A:LZ6212 0.0 39.6 0.8
C9 A:LZ6212 1.8 32.6 0.8
C8 A:LZ6212 2.7 28.6 0.8
CA3 A:GSH213 3.5 6.7 0.2
C24 A:LZ6212 3.6 15.3 0.8
N23 A:LZ6212 3.8 14.4 0.8
N7 A:LZ6212 4.1 25.4 0.8
C25 A:LZ6212 4.2 16.2 0.8
C3 A:GSH213 4.3 6.0 0.2
N3 A:GSH213 4.3 7.9 0.2
O A:HOH399 4.3 31.0 1.0
O A:HOH379 4.4 42.6 1.0
O27 A:LZ6212 4.4 17.4 0.8
O A:HOH496 4.5 31.8 1.0
O32 A:GSH213 4.5 5.5 0.2
C6 A:LZ6212 4.6 25.9 0.8
NE1 A:TRP38 4.6 13.1 1.0
CD1 A:TRP38 4.7 13.4 1.0
C1 A:LZ6212 4.8 25.7 0.8
C11 A:LZ6212 5.0 23.0 0.8
O26 A:LZ6212 5.0 15.6 0.8

Chlorine binding site 3 out of 4 in 3csh

Go back to Chlorine Binding Sites List in 3csh
Chlorine binding site 3 out of 4 in the Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate


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 Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl212

b:24.3
occ:1.00
 O B:HOH521 3.0 16.7 1.0
O B:HOH431 3.3 14.6 1.0
O B:HOH708 3.5 15.5 0.8
SG2 B:GSH215 3.6 3.7 0.2
CD1 B:ILE104 3.6 12.7 1.0
CG B:ARG13 3.6 8.9 1.0
N B:ARG13 3.8 8.8 1.0
CA B:GLY12 3.9 9.8 1.0
OH B:TYR7 3.9 11.4 1.0
CG1 B:ILE104 4.0 11.4 1.0
O B:HOH578 4.0 14.5 1.0
C B:GLY12 4.1 9.2 1.0
CD B:ARG13 4.2 7.0 1.0
CB B:ARG13 4.3 8.4 1.0
NE B:ARG13 4.4 8.3 1.0
O B:HOH444 4.5 12.2 1.0
C12 B:LZ6214 4.6 26.6 0.8
CA B:ARG13 4.6 8.5 1.0
CE2 B:TYR108 4.7 14.7 1.0
OH B:TYR108 4.8 16.5 1.0
CG2 B:ILE104 4.9 12.5 1.0

Chlorine binding site 4 out of 4 in 3csh

Go back to Chlorine Binding Sites List in 3csh
Chlorine binding site 4 out of 4 in the Crystal Structure of Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate


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 Glutathione Transferase Pi in Complex with the Chlorambucil-Glutathione Conjugate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl214

b:47.0
occ:0.80
 CL10 B:LZ6214 0.0 47.0 0.8
C9 B:LZ6214 1.8 42.5 0.8
C8 B:LZ6214 2.7 38.9 0.8
CA3 B:GSH215 3.6 7.0 0.2
N7 B:LZ6214 3.9 36.1 0.8
C6 B:LZ6214 4.1 37.6 0.8
C24 B:LZ6214 4.1 17.3 0.8
C3 B:GSH215 4.3 7.3 0.2
O31 B:GSH215 4.3 8.3 0.2
N3 B:GSH215 4.3 6.9 0.2
CD1 B:TRP38 4.4 18.1 1.0
C1 B:LZ6214 4.5 37.0 0.8
NE1 B:TRP38 4.5 19.0 1.0
N23 B:LZ6214 4.5 17.2 0.8
C25 B:LZ6214 4.7 18.7 0.8
O26 B:LZ6214 4.7 18.0 0.8
O B:HOH691 4.8 36.7 1.0
O B:HOH604 5.0 29.4 1.0

Reference:

L.J.Parker, S.Ciccone, L.C.Italiano, A.Primavera, A.J.Oakley, C.J.Morton, N.C.Hancock, M.L.Bello, M.W.Parker. The Anti-Cancer Drug Chlorambucil As A Substrate For the Human Polymorphic Enzyme Glutathione Transferase P1-1: Kinetic Properties and Crystallographic Characterisation of Allelic Variants. J.Mol.Biol. V. 380 131 2008.
ISSN: ISSN 0022-2836
PubMed: 18511072
DOI: 10.1016/J.JMB.2008.04.066
Page generated: Sat Dec 12 09:37:07 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy