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Sodium in PDB 4jvm: Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A)

Enzymatic activity of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A)

All present enzymatic activity of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A):
2.8.2.4;

Protein crystallography data

The structure of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A), PDB code: 4jvm 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) 27.17 / 1.99
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.566, 97.437, 61.779, 90.00, 91.98, 90.00
R / Rfree (%) 18.3 / 23

Other elements in 4jvm:

The structure of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A) also contains other interesting chemical elements:

Bromine (Br) 8 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 Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A) (pdb code 4jvm). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A), PDB code: 4jvm:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 4jvm

Go back to Sodium Binding Sites List in 4jvm
Sodium binding site 1 out of 3 in the Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A)


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 Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na503

b:22.6
occ:1.00
 O A:VAL187 2.3 12.1 1.0
O A:HOH785 2.3 26.4 1.0
O A:GLY182 2.3 14.5 1.0
O A:SER184 2.4 16.6 1.0
O A:HOH758 2.7 24.6 1.0
O A:HOH623 3.3 18.2 1.0
C A:GLY182 3.3 18.5 1.0
C A:SER184 3.5 21.9 1.0
C A:VAL187 3.5 12.5 1.0
C A:LYS183 3.9 25.8 1.0
O A:LYS183 4.1 31.1 1.0
CA A:GLY182 4.1 12.8 1.0
N A:SER184 4.1 19.1 1.0
CA A:PRO185 4.2 21.2 1.0
N A:LYS183 4.2 17.2 1.0
N A:PRO185 4.2 19.4 1.0
N A:VAL187 4.2 11.4 1.0
CA A:LYS183 4.3 21.7 1.0
CA A:VAL187 4.3 8.8 1.0
N A:LEU188 4.4 8.3 1.0
CA A:SER184 4.4 16.8 1.0
C A:PRO185 4.4 16.1 1.0
CA A:LEU188 4.5 9.7 1.0
CB A:VAL187 4.6 9.2 1.0
O A:PRO185 4.6 16.4 1.0

Sodium binding site 2 out of 3 in 4jvm

Go back to Sodium Binding Sites List in 4jvm
Sodium binding site 2 out of 3 in the Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A)


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 Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na303

b:10.0
occ:1.00
 O B:HOH426 2.3 8.4 1.0
O B:VAL187 2.3 7.7 1.0
O B:GLY182 2.3 11.2 1.0
O B:HOH471 2.4 15.6 1.0
O B:SER184 2.4 14.9 1.0
O B:HOH438 2.5 11.3 1.0
C B:GLY182 3.3 8.9 1.0
C B:VAL187 3.4 6.6 1.0
C B:SER184 3.4 15.9 1.0
CA B:GLY182 3.9 7.3 1.0
CA B:PRO185 4.0 11.6 1.0
O B:HOH574 4.0 24.8 1.0
N B:PRO185 4.1 10.9 1.0
CA B:LEU188 4.1 6.8 1.0
N B:LEU188 4.1 4.2 1.0
O B:HOH457 4.2 14.8 1.0
N B:SER184 4.2 12.4 1.0
N B:VAL187 4.2 8.7 1.0
C B:LYS183 4.2 12.5 1.0
CA B:VAL187 4.3 9.0 1.0
C B:PRO185 4.3 9.5 1.0
N B:LYS183 4.3 9.6 1.0
N B:PHE189 4.4 6.2 1.0
CA B:SER184 4.4 13.7 1.0
O B:LYS183 4.5 17.4 1.0
O B:PRO185 4.6 9.3 1.0
CA B:LYS183 4.6 15.1 1.0
CB B:VAL187 4.7 7.8 1.0
C B:LEU188 4.8 5.4 1.0
N B:ARG186 4.9 10.8 1.0
O B:HOH477 4.9 27.5 1.0

Sodium binding site 3 out of 3 in 4jvm

Go back to Sodium Binding Sites List in 4jvm
Sodium binding site 3 out of 3 in the Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Human Estrogen Sulfotransferase (SULT1E1) in Complex with Inactive Cofactor Pap and Brominated Flame Retardant Tbbpa (Tetrabromobisphenol A) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na306

b:31.4
occ:1.00
 O B:PHE11 2.2 26.0 1.0
O B:HOH583 2.3 30.1 1.0
O B:HOH620 2.3 29.5 1.0
O B:HOH621 2.4 32.2 1.0
O B:TYR8 2.5 21.7 1.0
O B:HOH556 2.5 27.4 1.0
C B:PHE11 3.5 24.8 1.0
C B:TYR8 3.5 23.8 1.0
OE2 B:GLU12 4.1 41.2 1.0
CA B:GLU9 4.2 26.7 1.0
N B:PHE11 4.2 16.9 1.0
N B:GLU9 4.3 21.7 1.0
O B:GLU9 4.3 24.8 1.0
N B:GLU12 4.4 22.2 1.0
C B:GLU9 4.4 23.5 1.0
CA B:GLU12 4.4 23.0 1.0
CA B:PHE11 4.4 18.3 1.0
O B:HOH603 4.4 28.7 1.0
CB B:TYR8 4.5 20.8 1.0
CA B:TYR8 4.5 18.7 1.0
CG B:GLU12 4.6 32.7 1.0
CD B:GLU12 4.7 44.1 1.0
O B:HOH579 4.9 29.6 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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