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Iron in PDB 8ax0: Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside

Enzymatic activity of Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside

All present enzymatic activity of Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside:
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside, PDB code: 8ax0 was solved by M.Schwartz, C.Didierjean, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.74 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.51, 104.31, 107.38, 90, 90, 90
R / Rfree (%) 16.5 / 20.2

Other elements in 8ax0:

The structure of Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside (pdb code 8ax0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside, PDB code: 8ax0:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 8ax0

Go back to Iron Binding Sites List in 8ax0
Iron binding site 1 out of 4 in the Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:26.1
occ:0.90
 FE2 A:NT3301 0.0 26.1 0.9
N02 A:NT3301 1.6 34.8 0.9
C12 A:NT3301 1.9 29.9 0.9
C04 A:NT3301 1.9 23.9 0.9
C06 A:NT3301 1.9 24.9 0.9
C10 A:NT3301 1.9 20.9 0.9
C08 A:NT3301 1.9 28.5 0.9
O01 A:NT3301 2.8 39.6 0.9
N05 A:NT3301 3.0 28.1 0.9
N13 A:NT3301 3.1 33.2 0.9
N11 A:NT3301 3.1 26.5 0.9
N09 A:NT3301 3.1 26.6 0.9
N07 A:NT3301 3.1 21.6 0.9
HZ A:PHE128 3.5 32.4 1.0
HE1 A:PHE14 3.8 27.1 1.0
HG11 A:VAL233 3.9 25.9 1.0
HE2 A:TYR17 4.2 20.7 1.0
HD2 A:PRO16 4.3 17.2 1.0
CZ A:PHE128 4.3 27.0 1.0
HH12 A:ARG124 4.4 38.0 1.0
HD1 A:PHE14 4.5 25.9 1.0
CE1 A:PHE14 4.6 22.6 1.0
HG13 A:VAL233 4.6 25.9 1.0
CG1 A:VAL233 4.7 21.6 1.0
HE1 A:PHE128 4.8 40.8 1.0
HD2 A:TYR17 4.9 19.4 1.0
CD1 A:PHE14 5.0 21.6 1.0
CE1 A:PHE128 5.0 34.0 1.0

Iron binding site 2 out of 4 in 8ax0

Go back to Iron Binding Sites List in 8ax0
Iron binding site 2 out of 4 in the Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe304

b:59.0
occ:0.60
 FE2 A:NT3304 0.0 59.0 0.6
N02 A:NT3304 1.6 50.0 0.6
C12 A:NT3304 1.9 46.4 0.6
C04 A:NT3304 1.9 34.2 0.6
C06 A:NT3304 1.9 42.7 0.6
C10 A:NT3304 1.9 45.9 0.6
C08 A:NT3304 1.9 89.5 0.6
O01 A:NT3304 2.8 42.2 0.6
N05 A:NT3304 3.0 33.4 0.6
N13 A:NT3304 3.0 33.4 0.6
N11 A:NT3304 3.1 40.1 0.6
N07 A:NT3304 3.1 37.0 0.6
N09 A:NT3304 3.1 89.0 0.6
HG2 A:ARG208 4.3 34.5 1.0
HD2 A:ARG204 4.4 33.8 1.0
HG3 A:ARG208 4.5 34.5 1.0
HG11 A:VAL207 4.5 23.9 1.0
HG12 A:VAL207 4.5 23.9 1.0
CD2 A:PHE173 4.8 35.4 1.0
CG A:PHE173 4.8 33.1 1.0
O A:HOH402 4.8 38.6 1.0
CG A:ARG208 4.9 28.7 1.0
HG2 A:ARG204 4.9 30.1 1.0
CE2 A:PHE173 4.9 33.3 1.0
CG1 A:VAL207 4.9 19.9 1.0
HD2 A:PHE173 5.0 42.4 1.0
HH11 A:ARG208 5.0 36.4 1.0
HB A:VAL207 5.0 24.4 1.0
HB3 A:ARG204 5.0 28.5 1.0

Iron binding site 3 out of 4 in 8ax0

Go back to Iron Binding Sites List in 8ax0
Iron binding site 3 out of 4 in the Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:43.0
occ:0.90
 FE2 B:NT3302 0.0 43.0 0.9
N02 B:NT3302 1.6 58.1 0.9
C06 B:NT3302 1.9 32.1 0.9
C10 B:NT3302 1.9 42.2 0.9
C08 B:NT3302 1.9 48.4 0.9
C12 B:NT3302 1.9 41.1 0.9
C04 B:NT3302 1.9 36.5 0.9
O01 B:NT3302 2.8 57.6 0.9
N11 B:NT3302 3.0 46.3 0.9
N07 B:NT3302 3.1 27.5 0.9
N09 B:NT3302 3.1 42.7 0.9
N13 B:NT3302 3.1 36.6 0.9
N05 B:NT3302 3.1 35.4 0.9
HE1 B:PHE14 3.3 35.2 1.0
HZ B:PHE128 3.3 49.0 1.0
HH22 B:ARG124 3.9 54.2 1.0
CZ B:PHE128 4.1 40.8 1.0
CE1 B:PHE14 4.2 29.3 1.0
HD2 B:PRO16 4.2 20.3 1.0
HD1 B:PHE14 4.2 27.9 1.0
HE2 B:TYR17 4.2 24.9 1.0
HG11 B:VAL233 4.4 35.7 1.0
HE2 B:PHE128 4.4 48.8 1.0
NH2 B:ARG124 4.5 45.1 1.0
CD1 B:PHE14 4.6 23.2 1.0
HH21 B:ARG124 4.6 54.2 1.0
CE2 B:PHE128 4.6 40.6 1.0
HD2 B:TYR17 4.7 22.1 1.0
HG13 B:VAL233 4.8 35.7 1.0
HE1 B:PHE128 4.9 51.1 1.0
CE1 B:PHE128 4.9 42.6 1.0
HA B:SER15 4.9 20.1 1.0
HD11 B:LEU40 5.0 51.9 1.0
HG21 B:VAL233 5.0 33.0 1.0

Iron binding site 4 out of 4 in 8ax0

Go back to Iron Binding Sites List in 8ax0
Iron binding site 4 out of 4 in the Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Trametes Versicolor Glutathione Transferase Omega 3S in Complex with Sodium Nitroprusside within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe304

b:65.3
occ:0.60
 FE2 B:NT3304 0.0 65.3 0.6
N02 B:NT3304 1.6 43.5 0.6
C12 B:NT3304 1.9 41.0 0.6
C10 B:NT3304 1.9 45.6 0.6
C04 B:NT3304 1.9 31.3 0.6
C08 B:NT3304 1.9 60.5 0.6
C06 B:NT3304 1.9 40.0 0.6
O01 B:NT3304 2.8 33.9 0.6
N13 B:NT3304 3.0 28.7 0.6
N05 B:NT3304 3.0 31.1 0.6
N11 B:NT3304 3.0 40.6 0.6
N07 B:NT3304 3.1 31.9 0.6
N09 B:NT3304 3.1 54.9 0.6
HG2 B:ARG208 4.2 26.5 1.0
HG3 B:ARG208 4.4 26.5 1.0
HG11 B:VAL207 4.6 22.5 1.0
HD2 B:ARG204 4.6 30.0 1.0
HG12 B:VAL207 4.6 22.5 1.0
CD2 B:PHE173 4.7 24.5 1.0
CG B:PHE173 4.8 24.6 1.0
HH11 B:ARG208 4.8 30.8 1.0
HB3 B:PHE173 4.8 29.8 1.0
CG B:ARG208 4.8 22.1 1.0
O B:HOH404 4.8 38.3 1.0
HD2 B:PHE173 4.8 29.4 1.0
HD3 B:ARG208 4.9 34.8 1.0
HB3 B:ARG204 5.0 22.7 1.0
CE2 B:PHE173 5.0 25.8 1.0

Reference:

M.Schwartz, T.Perrot, J.Beurton, F.Zannini, M.Morel-Rouhier, E.Gelhaye, F.Neiers, D.Schaniel, F.Favier, J.P.Jacquot, P.Leroy, I.Clarot, A.Boudier, C.Didierjean. Structural Insights Into the Interactions of Glutathione Transferases with A Nitric Oxide Carrier and Sodium Nitroprusside. Biochem.Biophys.Res.Commun. V. 649 79 2023.
ISSN: ESSN 1090-2104
PubMed: 36758482
DOI: 10.1016/J.BBRC.2023.01.099
Page generated: Fri Aug 9 18:44:27 2024

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