Sodium in PDB 4r4u: Crystal Structure of Acyl-Coa Thioesterase Tesb From Yersinia Pestis in Complex with Coenzyme A

The structure of Crystal Structure of Acyl-Coa Thioesterase Tesb From Yersinia Pestis in Complex with Coenzyme A, PDB code: 4r4u was solved by C.M.D.Swarbrick, J.K.Forwood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	85.68 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.976, 171.369, 73.656, 90.00, 109.51, 90.00
R / Rfree (%)	20.1 / 26.6

The binding sites of Sodium atom in the Crystal Structure of Acyl-Coa Thioesterase Tesb From Yersinia Pestis in Complex with Coenzyme A (pdb code 4r4u). 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 Acyl-Coa Thioesterase Tesb From Yersinia Pestis in Complex with Coenzyme A, PDB code: 4r4u:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Acyl-Coa Thioesterase Tesb From Yersinia Pestis in Complex with Coenzyme 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 Acyl-Coa Thioesterase Tesb From Yersinia Pestis in Complex with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:28.1 occ:1.00 O A:HOH430 2.2 32.2 1.0 O A:HOH405 2.3 30.6 1.0 O A:HOH447 2.3 31.6 1.0 O A:HOH425 2.3 28.4 1.0 O A:VAL78 2.3 25.1 1.0 O A:HOH406 2.3 25.2 1.0 C A:VAL78 3.4 24.7 1.0 CA A:GLU79 3.9 24.4 1.0 O A:HOH426 3.9 23.1 1.0 O A:HOH478 4.0 36.4 1.0 N A:GLU79 4.0 23.6 1.0 O A:HOH443 4.2 31.8 1.0 O A:HOH513 4.2 39.0 1.0 OD2 A:ASP77 4.5 25.3 1.0 O A:GLY20 4.6 22.1 1.0 CA A:VAL78 4.6 24.3 1.0 N A:THR80 4.6 26.5 1.0 N A:VAL78 4.6 21.5 1.0 O A:GLU19 4.8 23.9 1.0 C A:GLU79 4.8 26.3 1.0 OD1 A:ASP77 4.8 22.2 1.0 O A:HOH469 4.8 29.2 1.0 CB A:GLU79 4.9 23.0 1.0 CG A:ASP77 5.0 23.6 1.0 CA A:GLY20 5.0 20.6 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Acyl-Coa Thioesterase Tesb From Yersinia Pestis in Complex with Coenzyme 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 Acyl-Coa Thioesterase Tesb From Yersinia Pestis in Complex with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ D:Na302 b:25.6 occ:1.00 O D:HOH427 2.2 27.7 1.0 O D:HOH444 2.3 24.9 1.0 O D:HOH413 2.3 23.4 1.0 O D:HOH406 2.3 28.9 1.0 O D:HOH429 2.3 29.8 1.0 O D:VAL78 2.3 23.4 1.0 C D:VAL78 3.4 22.0 1.0 CA D:GLU79 3.9 25.3 1.0 N D:GLU79 4.0 23.0 1.0 O D:HOH416 4.0 23.2 1.0 O D:HOH404 4.2 25.4 1.0 O D:HOH499 4.3 34.1 1.0 O A:HOH498 4.3 32.8 1.0 O A:HOH510 4.4 36.4 1.0 O D:GLY20 4.5 24.3 1.0 OD2 D:ASP77 4.5 28.1 1.0 N D:VAL78 4.5 21.6 1.0 OD1 D:ASP77 4.5 25.9 1.0 CA D:VAL78 4.5 21.3 1.0 O D:HOH501 4.7 27.7 1.0 N D:THR80 4.7 25.9 1.0 CB D:GLU79 4.8 25.0 1.0 CG D:ASP77 4.8 26.3 1.0 O D:GLU19 4.8 24.8 1.0 C D:GLU79 4.8 24.4 1.0

C.M.Swarbrick, M.A.Perugini, N.Cowieson, J.K.Forwood. Structural and Functional Characterization of Tesb From Yersinia Pestis Reveals A Unique Octameric Arrangement of Hotdog Domains. Acta Crystallogr.,Sect.D V. 71 986 2015.
ISSN: ISSN 0907-4449
PubMed: 25849407
DOI: 10.1107/S1399004715002527