Sodium in PDB 7akc: Structure of the of Acyltransferase Domain of Phenolphthiocerol/Phtiocerol Synthase A From Mycobacterium Bovis (Bcg)

The structure of Structure of the of Acyltransferase Domain of Phenolphthiocerol/Phtiocerol Synthase A From Mycobacterium Bovis (Bcg), PDB code: 7akc was solved by Y.Brison, V.Nahoum, L.Mourey, L.Maveyraud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.01 / 1.60
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.029, 94.029, 73.236, 90.00, 90.00, 90.00
R / Rfree (%)	24.5 / 26.7

The binding sites of Sodium atom in the Structure of the of Acyltransferase Domain of Phenolphthiocerol/Phtiocerol Synthase A From Mycobacterium Bovis (Bcg) (pdb code 7akc). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of the of Acyltransferase Domain of Phenolphthiocerol/Phtiocerol Synthase A From Mycobacterium Bovis (Bcg), PDB code: 7akc:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Structure of the of Acyltransferase Domain of Phenolphthiocerol/Phtiocerol Synthase A From Mycobacterium Bovis (Bcg)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of the of Acyltransferase Domain of Phenolphthiocerol/Phtiocerol Synthase A From Mycobacterium Bovis (Bcg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1001 b:22.1 occ:1.00 O A:VAL778 2.2 22.2 1.0 O A:HOH1251 2.3 23.8 1.0 O A:HOH1199 2.4 32.2 1.0 O A:PHE775 2.4 23.5 1.0 O A:HOH1228 2.5 47.1 1.0 O A:ILE772 2.5 22.6 1.0 C A:PHE775 3.4 25.1 1.0 C A:VAL778 3.4 21.8 1.0 C A:ILE772 3.6 23.5 1.0 CG1 A:ILE772 4.0 23.9 1.0 CB A:ILE772 4.1 23.1 1.0 N A:PHE775 4.1 24.5 1.0 N A:VAL778 4.1 21.8 1.0 CA A:PHE775 4.2 24.3 1.0 N A:PRO776 4.2 25.9 1.0 CA A:VAL778 4.3 20.3 1.0 CA A:PRO776 4.3 26.8 1.0 CB A:PHE775 4.3 25.0 1.0 C A:PRO776 4.4 26.1 1.0 CD1 A:ILE772 4.4 24.8 1.0 CA A:ILE772 4.4 22.4 1.0 N A:ALA773 4.4 24.6 1.0 N A:THR779 4.4 19.5 1.0 CA A:ALA773 4.4 24.4 1.0 O A:PRO776 4.5 26.6 1.0 CG2 A:THR779 4.5 22.0 1.0 C A:ALA773 4.5 24.9 1.0 O A:ALA773 4.5 26.1 1.0 CA A:THR779 4.5 20.0 1.0 O A:HOH1135 4.6 25.4 1.0 CB A:VAL778 4.6 18.5 1.0 O A:HOH1106 4.7 42.2 1.0 N A:GLN777 4.9 24.8 1.0 O A:HOH1133 4.9 23.7 1.0 O A:HOH1183 4.9 41.2 1.0

Sodium binding site 2 out of 2 in the Structure of the of Acyltransferase Domain of Phenolphthiocerol/Phtiocerol Synthase A From Mycobacterium Bovis (Bcg)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of the of Acyltransferase Domain of Phenolphthiocerol/Phtiocerol Synthase A From Mycobacterium Bovis (Bcg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1002 b:26.4 occ:1.00 O A:SER884 2.3 23.0 1.0 O A:GLY891 2.3 31.4 1.0 O A:SER887 2.3 26.6 1.0 O A:ALA889 2.4 28.8 1.0 O A:HOH1240 2.5 32.1 1.0 O A:ALA885 3.1 27.4 1.0 C A:GLY891 3.3 31.9 1.0 C A:SER884 3.4 24.1 1.0 C A:SER887 3.4 25.4 1.0 C A:ALA889 3.5 28.6 1.0 C A:ALA885 3.6 27.2 1.0 CA A:ALA885 3.7 26.1 1.0 N A:SER887 3.9 26.9 1.0 CA A:SER887 4.0 26.3 1.0 N A:ALA885 4.0 24.2 1.0 N A:GLY891 4.0 30.4 1.0 N A:ALA892 4.1 33.0 1.0 CA A:ALA892 4.1 32.8 1.0 CB A:SER887 4.1 25.5 1.0 N A:ALA889 4.1 26.0 1.0 C A:ASP890 4.2 32.1 1.0 O A:HOH1122 4.2 37.7 1.0 CA A:GLY891 4.3 30.4 1.0 C A:GLY888 4.3 24.8 1.0 CA A:ALA889 4.4 28.7 1.0 N A:ASP890 4.5 28.6 1.0 N A:GLY888 4.5 24.5 1.0 CB A:ASP890 4.5 34.6 1.0 O A:ASP890 4.5 33.8 1.0 N A:GLY886 4.5 28.1 1.0 O A:HOH1154 4.5 43.2 1.0 CE1 A:TYR893 4.5 37.1 1.0 CD1 A:TYR893 4.6 36.0 1.0 CA A:ASP890 4.6 31.1 1.0 CA A:SER884 4.6 25.3 1.0 OG A:SER884 4.6 30.6 1.0 C A:GLY886 4.6 28.7 1.0 OG A:SER887 4.7 26.7 1.0 O A:HOH1111 4.7 39.4 1.0 CA A:GLY888 4.7 24.6 1.0 O A:GLY888 4.7 27.6 1.0 CB A:ALA892 5.0 32.9 1.0

A.D.Grabowska, Y.Brison, L.Maveyraud, S.Gavalda, A.Faille, V.Nahoum, C.Bon, C.Guilhot, J.D.Pedelacq, C.Chalut, L.Mourey. Molecular Basis For Extender Unit Specificity of Mycobacterial Polyketide Synthases. Acs Chem.Biol. 2020.
ISSN: ESSN 1554-8937
PubMed: 33237724
DOI: 10.1021/ACSCHEMBIO.0C00772