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Sodium in PDB 4nu9: 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289

Enzymatic activity of 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289

All present enzymatic activity of 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289:
1.2.1.8;

Protein crystallography data

The structure of 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289, PDB code: 4nu9 was solved by A.S.Halavaty, G.Minasov, I.Dubrovska, J.Stam, L.Shuvalova, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.87 / 2.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 106.639, 118.427, 88.532, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 21.5

Sodium Binding Sites:

The binding sites of Sodium atom in the 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289 (pdb code 4nu9). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289, PDB code: 4nu9:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in 4nu9

Go back to Sodium Binding Sites List in 4nu9
Sodium binding site 1 out of 4 in the 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na501

b:23.9
occ:1.00
 OD1 A:ASP97 2.3 18.9 1.0
O A:HOH700 2.4 23.2 1.0
O A:ASP97 2.5 18.1 1.0
O A:ILE29 2.5 26.3 1.0
O A:ILE184 2.9 18.3 1.0
O A:HOH719 3.1 26.6 1.0
CG A:ASP97 3.4 18.5 1.0
C A:ASP97 3.4 18.7 1.0
C A:ILE29 3.7 24.9 1.0
CA A:ASP97 3.7 18.6 1.0
CG2 A:ILE28 3.9 20.8 1.0
C A:ILE184 4.1 18.2 1.0
CG2 A:THR185 4.1 16.8 1.0
N A:ILE29 4.1 24.5 1.0
CB A:ASP97 4.2 18.1 1.0
OD2 A:ASP97 4.4 18.4 1.0
CA A:ILE29 4.4 26.9 1.0
CD A:PRO31 4.5 20.4 1.0
CA A:THR185 4.6 16.5 1.0
O A:HOH783 4.7 30.7 1.0
N A:THR98 4.7 18.3 1.0
N A:ASN30 4.7 23.0 1.0
N A:THR185 4.8 17.3 1.0
CA A:ASN30 4.9 21.7 1.0
CB A:THR185 4.9 16.4 1.0
O A:LEU96 5.0 20.1 1.0
C A:ILE28 5.0 22.8 1.0
CB A:ILE29 5.0 31.3 1.0

Sodium binding site 2 out of 4 in 4nu9

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Sodium binding site 2 out of 4 in the 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na502

b:24.5
occ:1.00
 O A:VAL249 2.3 17.0 1.0
O A:HOH641 2.3 20.3 1.0
C A:VAL249 3.5 18.0 1.0
CG1 A:VAL249 4.1 17.9 1.0
O A:HOH754 4.2 23.1 1.0
CB A:VAL249 4.3 18.6 1.0
CA A:THR250 4.3 16.7 1.0
ND2 A:ASN251 4.3 18.7 1.0
N A:THR250 4.4 17.4 1.0
O A:HOH776 4.5 18.6 1.0
N A:ASN251 4.5 16.4 1.0
CA A:VAL249 4.6 18.8 1.0
C A:THR250 4.7 16.5 1.0
O A:ASN248 4.7 20.2 1.0
CG A:ASN251 4.8 17.7 1.0
O A:HOH664 5.0 17.9 1.0

Sodium binding site 3 out of 4 in 4nu9

Go back to Sodium Binding Sites List in 4nu9
Sodium binding site 3 out of 4 in the 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na501

b:25.0
occ:1.00
 O B:HOH722 2.2 20.0 1.0
O B:VAL249 2.3 19.9 1.0
C B:VAL249 3.5 19.3 1.0
CB B:VAL249 4.2 19.6 1.0
ND2 B:ASN251 4.2 23.2 1.0
CG1 B:VAL249 4.2 19.2 1.0
CA B:THR250 4.3 19.2 1.0
N B:THR250 4.4 19.3 1.0
O B:HOH755 4.4 30.1 1.0
O B:HOH843 4.5 29.3 1.0
N B:ASN251 4.5 19.1 1.0
CA B:VAL249 4.5 19.7 1.0
O B:ASN248 4.7 22.1 1.0
C B:THR250 4.7 19.4 1.0
CG B:ASN251 4.8 22.4 1.0

Sodium binding site 4 out of 4 in 4nu9

Go back to Sodium Binding Sites List in 4nu9
Sodium binding site 4 out of 4 in the 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na502

b:28.2
occ:1.00
 O B:HOH613 2.0 22.6 1.0
O B:HOH683 2.2 23.2 1.0
O B:HOH675 2.4 21.2 1.0
O B:GLY286 2.4 22.5 1.0
O B:GLY393 2.5 22.0 1.0
N B:GLY393 3.3 23.1 1.0
C B:GLY286 3.3 24.1 1.0
CA B:GLY286 3.6 25.2 1.0
C B:GLY393 3.6 22.5 1.0
OE2 B:GLU390 3.7 36.4 1.0
CB B:ALA291 3.9 30.6 1.0
C B:PHE392 3.9 25.2 1.0
CA B:PHE392 3.9 27.0 1.0
CA B:GLY393 4.0 23.3 1.0
O B:VAL395 4.1 19.0 1.0
CB B:SER293 4.1 20.2 1.0
N B:PHE392 4.3 28.4 1.0
O B:GLY281 4.4 19.8 1.0
N B:GLN287 4.6 24.4 1.0
N B:VAL395 4.6 21.4 1.0
N B:PRO394 4.7 22.4 1.0
CD B:GLU390 4.7 34.6 1.0
O B:HOH857 4.8 50.2 1.0
O B:PHE392 4.9 25.9 1.0
N B:GLY286 4.9 25.3 1.0
CA B:SER293 4.9 20.4 1.0

Reference:

A.S.Halavaty, G.Minasov, I.Dubrovska, J.Stam, L.Shuvalova, K.Kwon, W.F.Anderson. 2.30 Angstrom Resolution Crystal Strucure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus with Bme-Free CYS289 To Be Published.
Page generated: Mon Oct 7 17:18:14 2024

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