Atomistry » Iodine » PDB 1gjd-1lij » 1gul
Atomistry »
  Iodine »
    PDB 1gjd-1lij »
      1gul »

Iodine in PDB 1gul: Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione

Enzymatic activity of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione

All present enzymatic activity of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione:
2.5.1.18;

Protein crystallography data

The structure of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione, PDB code: 1gul was solved by C.M.Bruns, I.Hubatsch, M.Ridderstrom, B.Mannervik, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 160.00 / 2.70
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 155.300, 156.100, 101.300, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Iodine Binding Sites:

The binding sites of Iodine atom in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione (pdb code 1gul). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione, PDB code: 1gul:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 1gul

Go back to Iodine Binding Sites List in 1gul
Iodine binding site 1 out of 8 in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
I:I232

b:90.3
occ:1.00
 I I:ICY232 0.0 90.3 1.0
C2 I:ICY232 2.1 5.7 1.0
C1 I:ICY232 3.0 0.0 1.0
C3 I:ICY232 3.1 31.6 1.0
C0 I:ICY232 3.2 0.0 1.0
OH A:TYR9 3.7 9.6 1.0
OH A:TYR212 3.8 44.2 1.0
O A:HOH1314 4.0 17.3 1.0
SG I:ICY232 4.1 46.8 1.0
CA A:GLY14 4.2 1.0 1.0
CE2 A:PHE111 4.4 17.1 1.0
C6 I:ICY232 4.4 0.0 1.0
C4 I:ICY232 4.4 15.3 1.0
CZ A:PHE111 4.5 8.9 1.0
CG2 A:ILE107 4.6 6.4 1.0
N A:ARG15 4.7 9.0 1.0
CG A:ARG15 4.7 5.2 1.0
CZ A:TYR9 4.8 8.5 1.0
C A:GLY14 4.9 9.5 1.0
NE A:ARG15 4.9 14.5 1.0
C5 I:ICY232 4.9 0.0 1.0

Iodine binding site 2 out of 8 in 1gul

Go back to Iodine Binding Sites List in 1gul
Iodine binding site 2 out of 8 in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
J:I232

b:90.3
occ:1.00
 I J:ICY232 0.0 90.3 1.0
C2 J:ICY232 2.1 5.7 1.0
C1 J:ICY232 3.0 0.0 1.0
C3 J:ICY232 3.1 31.6 1.0
C0 J:ICY232 3.2 0.0 1.0
OH B:TYR9 3.7 9.6 1.0
OH B:TYR212 3.8 44.2 1.0
O B:HOH2314 4.0 17.3 1.0
SG J:ICY232 4.1 46.8 1.0
CA B:GLY14 4.2 1.0 1.0
CE2 B:PHE111 4.4 17.1 1.0
C6 J:ICY232 4.4 0.0 1.0
C4 J:ICY232 4.4 15.3 1.0
CZ B:PHE111 4.5 8.9 1.0
CG2 B:ILE107 4.6 6.4 1.0
N B:ARG15 4.7 9.0 1.0
CG B:ARG15 4.7 5.2 1.0
CZ B:TYR9 4.8 8.5 1.0
C B:GLY14 4.9 9.5 1.0
NE B:ARG15 4.9 14.5 1.0
C5 J:ICY232 4.9 0.0 1.0

Iodine binding site 3 out of 8 in 1gul

Go back to Iodine Binding Sites List in 1gul
Iodine binding site 3 out of 8 in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
K:I232

b:90.3
occ:1.00
 I K:ICY232 0.0 90.3 1.0
C2 K:ICY232 2.1 5.7 1.0
C1 K:ICY232 3.0 0.0 1.0
C3 K:ICY232 3.1 31.6 1.0
C0 K:ICY232 3.2 0.0 1.0
OH C:TYR9 3.7 9.6 1.0
OH C:TYR212 3.8 44.2 1.0
O C:HOH3314 4.0 17.3 1.0
SG K:ICY232 4.1 46.8 1.0
CA C:GLY14 4.2 1.0 1.0
CE2 C:PHE111 4.4 17.1 1.0
C6 K:ICY232 4.4 0.0 1.0
C4 K:ICY232 4.4 15.3 1.0
CZ C:PHE111 4.5 8.9 1.0
CG2 C:ILE107 4.6 6.4 1.0
N C:ARG15 4.7 9.0 1.0
CG C:ARG15 4.7 5.2 1.0
CZ C:TYR9 4.8 8.5 1.0
C C:GLY14 4.9 9.5 1.0
NE C:ARG15 4.9 14.5 1.0
C5 K:ICY232 4.9 0.0 1.0

Iodine binding site 4 out of 8 in 1gul

Go back to Iodine Binding Sites List in 1gul
Iodine binding site 4 out of 8 in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
L:I232

b:90.3
occ:1.00
 I L:ICY232 0.0 90.3 1.0
C2 L:ICY232 2.1 5.7 1.0
C1 L:ICY232 3.0 0.0 1.0
C3 L:ICY232 3.1 31.6 1.0
C0 L:ICY232 3.2 0.0 1.0
OH D:TYR9 3.7 9.6 1.0
OH D:TYR212 3.8 44.2 1.0
O D:HOH4314 4.0 17.3 1.0
SG L:ICY232 4.1 46.8 1.0
CA D:GLY14 4.2 1.0 1.0
CE2 D:PHE111 4.4 17.1 1.0
C6 L:ICY232 4.4 0.0 1.0
C4 L:ICY232 4.4 15.3 1.0
CZ D:PHE111 4.5 8.9 1.0
CG2 D:ILE107 4.6 6.4 1.0
N D:ARG15 4.7 9.0 1.0
CG D:ARG15 4.7 5.2 1.0
CZ D:TYR9 4.8 8.5 1.0
C D:GLY14 4.9 9.5 1.0
NE D:ARG15 4.9 14.5 1.0
C5 L:ICY232 4.9 0.0 1.0

Iodine binding site 5 out of 8 in 1gul

Go back to Iodine Binding Sites List in 1gul
Iodine binding site 5 out of 8 in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
M:I232

b:90.3
occ:1.00
 I M:ICY232 0.0 90.3 1.0
C2 M:ICY232 2.1 5.7 1.0
C1 M:ICY232 3.0 0.0 1.0
C3 M:ICY232 3.1 31.6 1.0
C0 M:ICY232 3.2 0.0 1.0
OH E:TYR9 3.7 9.6 1.0
OH E:TYR212 3.8 44.2 1.0
O E:HOH5314 4.0 17.3 1.0
SG M:ICY232 4.1 46.8 1.0
CA E:GLY14 4.2 1.0 1.0
CE2 E:PHE111 4.4 17.1 1.0
C6 M:ICY232 4.4 0.0 1.0
C4 M:ICY232 4.4 15.3 1.0
CZ E:PHE111 4.5 8.9 1.0
CG2 E:ILE107 4.6 6.4 1.0
N E:ARG15 4.7 9.0 1.0
CG E:ARG15 4.7 5.2 1.0
CZ E:TYR9 4.8 8.5 1.0
C E:GLY14 4.9 9.5 1.0
NE E:ARG15 4.9 14.5 1.0
C5 M:ICY232 4.9 0.0 1.0

Iodine binding site 6 out of 8 in 1gul

Go back to Iodine Binding Sites List in 1gul
Iodine binding site 6 out of 8 in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
N:I232

b:90.3
occ:1.00
 I N:ICY232 0.0 90.3 1.0
C2 N:ICY232 2.1 5.7 1.0
C1 N:ICY232 3.0 0.0 1.0
C3 N:ICY232 3.1 31.6 1.0
C0 N:ICY232 3.2 0.0 1.0
OH F:TYR9 3.7 9.6 1.0
OH F:TYR212 3.8 44.2 1.0
O F:HOH6314 4.0 17.3 1.0
SG N:ICY232 4.1 46.8 1.0
CA F:GLY14 4.2 1.0 1.0
CE2 F:PHE111 4.4 17.1 1.0
C6 N:ICY232 4.4 0.0 1.0
C4 N:ICY232 4.4 15.3 1.0
CZ F:PHE111 4.5 8.9 1.0
CG2 F:ILE107 4.6 6.4 1.0
N F:ARG15 4.7 9.0 1.0
CG F:ARG15 4.7 5.2 1.0
CZ F:TYR9 4.8 8.5 1.0
C F:GLY14 4.9 9.5 1.0
NE F:ARG15 4.9 14.5 1.0
C5 N:ICY232 4.9 0.0 1.0

Iodine binding site 7 out of 8 in 1gul

Go back to Iodine Binding Sites List in 1gul
Iodine binding site 7 out of 8 in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
O:I232

b:90.3
occ:1.00
 I O:ICY232 0.0 90.3 1.0
C2 O:ICY232 2.1 5.7 1.0
C1 O:ICY232 3.0 0.0 1.0
C3 O:ICY232 3.1 31.6 1.0
C0 O:ICY232 3.2 0.0 1.0
OH G:TYR9 3.7 9.6 1.0
OH G:TYR212 3.8 44.2 1.0
O G:HOH7314 4.0 17.3 1.0
SG O:ICY232 4.1 46.8 1.0
CA G:GLY14 4.2 1.0 1.0
CE2 G:PHE111 4.4 17.1 1.0
C6 O:ICY232 4.4 0.0 1.0
C4 O:ICY232 4.4 15.3 1.0
CZ G:PHE111 4.5 8.9 1.0
CG2 G:ILE107 4.6 6.4 1.0
N G:ARG15 4.7 9.0 1.0
CG G:ARG15 4.7 5.2 1.0
CZ G:TYR9 4.8 8.5 1.0
C G:GLY14 4.9 9.5 1.0
NE G:ARG15 4.9 14.5 1.0
C5 O:ICY232 4.9 0.0 1.0

Iodine binding site 8 out of 8 in 1gul

Go back to Iodine Binding Sites List in 1gul
Iodine binding site 8 out of 8 in the Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Human Glutathione Transferase A4-4 Complex with Iodobenzyl Glutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
P:I232

b:90.3
occ:1.00
 I P:ICY232 0.0 90.3 1.0
C2 P:ICY232 2.1 5.7 1.0
C1 P:ICY232 3.0 0.0 1.0
C3 P:ICY232 3.1 31.6 1.0
C0 P:ICY232 3.2 0.0 1.0
OH H:TYR9 3.7 9.6 1.0
OH H:TYR212 3.8 44.2 1.0
O H:HOH8314 4.0 17.3 1.0
SG P:ICY232 4.1 46.8 1.0
CA H:GLY14 4.2 1.0 1.0
CE2 H:PHE111 4.4 17.1 1.0
C6 P:ICY232 4.4 0.0 1.0
C4 P:ICY232 4.4 15.3 1.0
CZ H:PHE111 4.5 8.9 1.0
CG2 H:ILE107 4.6 6.4 1.0
N H:ARG15 4.7 9.0 1.0
CG H:ARG15 4.7 5.2 1.0
CZ H:TYR9 4.8 8.5 1.0
C H:GLY14 4.9 9.5 1.0
NE H:ARG15 4.9 14.5 1.0
C5 P:ICY232 4.9 0.0 1.0

Reference:

C.M.Bruns, I.Hubatsch, M.Ridderstrom, B.Mannervik, J.A.Tainer. Human Glutathione Transferase A4-4 Crystal Structures and Mutagenesis Reveal the Basis of High Catalytic Efficiency with Toxic Lipid Peroxidation Products J.Mol.Biol. V. 288 427 1999.
ISSN: ISSN 0022-2836
PubMed: 10329152
DOI: 10.1006/JMBI.1999.2697
Page generated: Sun Aug 11 12:12:20 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy