Sodium in PDB 7txs: X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate

The structure of X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate, PDB code: 7txs was solved by N.R.Herkert, J.B.Thoden, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.35 / 1.25
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	97.884, 97.884, 72.959, 90, 90, 120
R / Rfree (%)	15.2 / 16.6

The binding sites of Sodium atom in the X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate (pdb code 7txs). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate, PDB code: 7txs:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na302 b:13.7 occ:0.33 O A:HOH525 2.3 17.1 1.0 OD1 A:ASN130 2.5 7.3 0.5 ND2 A:ASN130 3.2 16.1 0.5 CG A:ASN130 3.5 6.5 0.5 CG A:ASN130 3.6 11.1 0.5 OD1 A:ASN130 3.6 12.4 0.5 ND2 A:ASN130 3.8 8.5 0.5 O A:HOH636 4.4 20.4 1.0 CB A:ASN130 4.6 9.0 0.5 O A:GLY112 4.8 9.4 1.0 CB A:ASN130 4.8 6.4 0.5

Sodium binding site 2 out of 4 in the X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na303 b:4.7 occ:0.33 OD1 A:ASN166 2.2 6.2 1.0 O A:HOH468 2.2 8.4 1.0 CG A:ASN166 3.2 6.0 1.0 ND2 A:ASN166 3.5 7.2 1.0 O A:ASN148 4.3 5.7 1.0 O A:HOH480 4.3 15.5 1.0 CB A:ASN148 4.5 5.6 1.0 CB A:ASN166 4.6 6.3 1.0

Sodium binding site 3 out of 4 in the X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na304 b:29.7 occ:1.00 O A:HOH415 2.1 36.8 1.0 O A:HOH669 2.3 37.1 1.0 O A:HOH672 2.4 50.9 1.0 O A:HOH568 2.4 16.4 1.0 O A:HOH508 2.5 21.0 1.0 O A:HOH492 2.5 28.0 1.0 OE2 A:GLU104 3.6 25.7 1.0 NA A:NA305 3.7 33.4 1.0 O A:HOH475 3.9 41.4 1.0 O A:HOH453 4.0 16.5 1.0 OD1 A:ASP141 4.1 9.9 1.0 O A:HOH483 4.3 14.0 1.0 OD2 A:ASP141 4.3 13.5 1.0 CD A:GLU104 4.5 17.5 1.0 O A:HOH407 4.5 29.8 1.0 O A:HOH600 4.6 31.4 1.0 CG A:ASP141 4.6 10.4 1.0 OE1 A:GLU104 4.6 22.6 1.0 O A:HOH682 4.6 47.0 1.0 NZ A:LYS120 4.7 47.6 1.0

Sodium binding site 4 out of 4 in the X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of X-Ray Structure of the Viob N-Aetyltransferase From Acinetobacter Baumannii in the Presence of A Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na305 b:33.4 occ:1.00 O A:HOH453 2.3 16.5 1.0 O A:HOH583 2.4 32.7 1.0 O A:HOH682 2.4 47.0 1.0 O A:HOH669 2.4 37.1 1.0 O A:HOH492 2.7 28.0 1.0 NA A:NA304 3.7 29.7 1.0 O A:HOH568 4.0 16.4 1.0 O A:HOH622 4.3 33.6 1.0 OD1 A:ASN159 4.5 10.7 1.0 ND2 A:ASN159 4.6 14.0 1.0 O A:HOH672 4.7 50.9 1.0 OD2 A:ASP141 4.8 13.5 1.0 O A:HOH600 4.9 31.4 1.0 CG A:ASN159 5.0 10.6 1.0

N.R.Herkert, J.B.Thoden, H.M.Holden. Structure and Function of An N-Acetyltransferase From the Human Pathogen Acinetobacter Baumannii Isolate BAL_212. Proteins V. 90 1594 2022.
ISSN: ESSN 1097-0134
PubMed: 35277885
DOI: 10.1002/PROT.26334