Sodium in PDB 7zhe: Crystal Structure of Ctaz From Ruminiclostridium Cellulolyticum

The structure of Crystal Structure of Ctaz From Ruminiclostridium Cellulolyticum, PDB code: 7zhe was solved by F.Gude, E.M.Molloy, T.Horch, M.Dell, K.L.Dunbar, J.Krabbe, M.Groll, C.Hertweck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	121.34, 121.34, 108.4, 90, 90, 120
R / Rfree (%)	18.1 / 20.7

The binding sites of Sodium atom in the Crystal Structure of Ctaz From Ruminiclostridium Cellulolyticum (pdb code 7zhe). 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 Ctaz From Ruminiclostridium Cellulolyticum, PDB code: 7zhe:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Ctaz From Ruminiclostridium Cellulolyticum


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 Ctaz From Ruminiclostridium Cellulolyticum within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:73.0 occ:0.33 CB A:PRO101 4.2 33.5 1.0 O A:PRO101 4.3 33.9 1.0 CA A:PRO101 4.6 33.3 1.0 C A:PRO101 4.8 32.3 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Ctaz From Ruminiclostridium Cellulolyticum


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 Ctaz From Ruminiclostridium Cellulolyticum within 5.0Å range: probe atom residue distance (Å) B Occ A:Na203 b:47.6 occ:1.00 O A:GLY94 2.7 44.2 1.0 ND1 A:HIS92 2.8 33.3 1.0 OG1 A:THR142 2.8 31.2 1.0 O A:HIS92 3.0 34.4 1.0 O A:TYR140 3.2 42.9 1.0 N A:THR142 3.4 32.3 1.0 CB A:THR142 3.4 32.1 1.0 N A:GLY94 3.5 43.3 1.0 CE1 A:HIS92 3.5 33.7 1.0 C A:TYR140 3.6 39.3 1.0 C A:HIS92 3.6 33.2 1.0 C A:GLY94 3.7 48.3 1.0 CB A:TYR96 3.8 59.8 1.0 CB A:TYR140 3.8 42.9 1.0 CG A:HIS92 3.9 33.8 1.0 C A:ILE93 3.9 39.9 1.0 C A:ILE141 3.9 33.1 1.0 CA A:THR142 4.0 33.3 1.0 N A:ILE141 4.0 34.1 1.0 CA A:ILE141 4.0 34.9 1.0 CA A:ILE93 4.1 38.9 1.0 N A:ILE93 4.1 35.8 1.0 CB A:HIS92 4.2 33.9 1.0 CA A:GLY94 4.2 46.9 1.0 CA A:TYR140 4.4 40.0 1.0 CD1 A:TYR96 4.4 50.4 1.0 CA A:HIS92 4.5 34.0 1.0 CA A:TYR96 4.6 63.4 1.0 CG A:TYR96 4.6 55.4 1.0 O A:ILE93 4.6 40.9 1.0 O A:HOH353 4.7 43.6 1.0 NE2 A:HIS92 4.8 33.1 1.0 O A:THR142 4.8 36.9 1.0 CG2 A:THR142 4.8 33.7 1.0 C A:PRO95 4.8 57.8 1.0 N A:TYR96 4.8 62.4 1.0 O A:ILE141 4.8 30.7 1.0 N A:PRO95 4.9 55.4 1.0 CD2 A:HIS92 4.9 33.5 1.0 C A:THR142 5.0 33.8 1.0

F.Gude, E.M.Molloy, T.Horch, M.Dell, K.L.Dunbar, J.Krabbe, M.Groll, C.Hertweck. A Specialized Polythioamide-Binding Protein Confers Antibiotic Self-Resistance in Anaerobic Bacteria. Angew.Chem.Int.Ed.Engl. V. 61 06168 2022.
ISSN: ESSN 1521-3773
PubMed: 35852818
DOI: 10.1002/ANIE.202206168