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Sodium in PDB 4jvn: Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether)

Enzymatic activity of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether)

All present enzymatic activity of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether):
2.8.2.4;

Protein crystallography data

The structure of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether), PDB code: 4jvn was solved by R.A.Gosavi, G.A.Knudsen, L.S.Birnbaum, L.C.Pedersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.39 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.676, 96.989, 61.389, 90.00, 92.44, 90.00
R / Rfree (%) 18.5 / 23.5

Other elements in 4jvn:

The structure of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether) also contains other interesting chemical elements:

Bromine (Br) 6 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether) (pdb code 4jvn). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether), PDB code: 4jvn:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 4jvn

Go back to Sodium Binding Sites List in 4jvn
Sodium binding site 1 out of 2 in the Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na503

b:36.6
occ:1.00
 O A:GLY182 2.4 28.3 1.0
O A:HOH803 2.4 37.4 1.0
O A:SER184 2.4 30.0 1.0
O A:VAL187 2.5 25.7 1.0
C A:GLY182 3.5 31.8 1.0
C A:SER184 3.6 31.7 1.0
O A:HOH642 3.6 28.2 1.0
C A:VAL187 3.7 21.9 1.0
C A:LYS183 4.1 40.4 1.0
O A:LYS183 4.2 43.9 1.0
N A:SER184 4.3 30.0 1.0
CA A:PRO185 4.3 33.6 1.0
CA A:GLY182 4.3 27.8 1.0
N A:LYS183 4.3 33.5 1.0
N A:PRO185 4.4 31.2 1.0
CA A:LYS183 4.4 35.6 1.0
N A:VAL187 4.4 24.8 1.0
CA A:VAL187 4.5 19.0 1.0
C A:PRO185 4.5 28.3 1.0
CA A:SER184 4.6 27.3 1.0
N A:LEU188 4.6 21.6 1.0
O A:PRO185 4.6 28.9 1.0
CA A:LEU188 4.7 19.7 1.0
CB A:VAL187 4.8 22.7 1.0

Sodium binding site 2 out of 2 in 4jvn

Go back to Sodium Binding Sites List in 4jvn
Sodium binding site 2 out of 2 in the Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Metabolite of Brominated Flame Retardant 3OH BDE47 (3-Hydroxyl Bromodiphenyl Ether) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na304

b:22.2
occ:1.00
 O B:GLY182 2.2 23.1 1.0
O B:HOH427 2.2 22.2 1.0
O B:HOH567 2.3 27.2 1.0
O B:VAL187 2.4 17.2 1.0
O B:SER184 2.4 24.3 1.0
O B:HOH421 2.5 18.8 1.0
C B:GLY182 3.3 20.4 1.0
C B:SER184 3.4 23.7 1.0
C B:VAL187 3.5 18.6 1.0
O B:HOH540 3.8 35.3 1.0
CA B:GLY182 4.0 18.2 1.0
CA B:PRO185 4.0 24.0 1.0
N B:PRO185 4.1 21.1 1.0
O B:HOH460 4.1 23.3 1.0
N B:SER184 4.2 26.4 1.0
C B:LYS183 4.2 24.4 1.0
N B:LYS183 4.3 23.2 1.0
CA B:LEU188 4.3 15.8 1.0
N B:LEU188 4.3 16.3 1.0
N B:VAL187 4.4 21.9 1.0
C B:PRO185 4.4 19.8 1.0
CA B:SER184 4.4 26.7 1.0
CA B:VAL187 4.4 16.5 1.0
O B:LYS183 4.5 28.4 1.0
CA B:LYS183 4.5 25.2 1.0
N B:PHE189 4.5 13.5 1.0
O B:PRO185 4.6 18.7 1.0
CB B:VAL187 4.8 16.9 1.0
N B:ARG186 4.9 22.4 1.0
C B:LEU188 4.9 17.4 1.0

Reference:

R.A.Gosavi, G.A.Knudsen, L.S.Birnbaum, L.C.Pedersen. Mimicking of Estradiol Binding By Flame Retardants and Their Metabolites: A Crystallographic Analysis. Environ.Health Perspect. V. 121 1194 2013.
ISSN: ISSN 0091-6765
PubMed: 23959441
DOI: 10.1289/EHP.1306902
Page generated: Mon Oct 7 16:23:19 2024

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