Sodium in PDB 4ak1: Structure of BT4661, A Suse-Like Surface Located Polysaccharide Binding Protein From the Bacteroides Thetaiotaomicron Heparin Utilisation Locus

The structure of Structure of BT4661, A Suse-Like Surface Located Polysaccharide Binding Protein From the Bacteroides Thetaiotaomicron Heparin Utilisation Locus, PDB code: 4ak1 was solved by E.C.Lowe, A.Basle, M.Czjzek, S.Thomas, H.Murray, S.J.Firbank, D.N.Bolam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	137.37 / 1.95
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	158.620, 158.620, 137.060, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 24.9

The binding sites of Sodium atom in the Structure of BT4661, A Suse-Like Surface Located Polysaccharide Binding Protein From the Bacteroides Thetaiotaomicron Heparin Utilisation Locus (pdb code 4ak1). 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 BT4661, A Suse-Like Surface Located Polysaccharide Binding Protein From the Bacteroides Thetaiotaomicron Heparin Utilisation Locus, PDB code: 4ak1:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Structure of BT4661, A Suse-Like Surface Located Polysaccharide Binding Protein From the Bacteroides Thetaiotaomicron Heparin Utilisation Locus


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of BT4661, A Suse-Like Surface Located Polysaccharide Binding Protein From the Bacteroides Thetaiotaomicron Heparin Utilisation Locus within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1701 b:28.2 occ:1.00 O A:HOH2211 1.8 20.9 1.0 O A:TYR339 2.2 19.1 1.0 O A:HOH2209 2.4 14.4 1.0 O A:HOH2210 2.4 13.5 1.0 C A:TYR339 3.3 18.7 1.0 N A:TYR339 3.6 18.0 1.0 O A:THR415 3.9 16.7 1.0 CA A:TYR339 4.1 18.2 1.0 N A:ALA340 4.2 18.8 1.0 CA A:ALA340 4.4 19.0 1.0 C A:GLY338 4.5 18.1 1.0 CA A:GLY338 4.6 18.3 1.0 C A:ALA340 4.9 18.6 1.0

Sodium binding site 2 out of 2 in the Structure of BT4661, A Suse-Like Surface Located Polysaccharide Binding Protein From the Bacteroides Thetaiotaomicron Heparin Utilisation Locus


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of BT4661, A Suse-Like Surface Located Polysaccharide Binding Protein From the Bacteroides Thetaiotaomicron Heparin Utilisation Locus within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1702 b:18.4 occ:1.00 O A:SER495 2.3 21.6 1.0 O A:HOH2390 2.3 25.5 1.0 O A:LEU475 2.4 19.0 1.0 O A:HOH2388 2.4 15.9 1.0 O A:SER473 2.5 22.9 1.0 O A:HOH2389 2.6 30.3 1.0 C A:SER473 3.4 22.9 1.0 C A:SER495 3.4 21.7 1.0 C A:LEU475 3.5 19.0 1.0 N A:LEU475 3.9 19.4 1.0 CA A:SER473 3.9 23.2 1.0 CA A:SER495 3.9 22.5 0.5 CA A:SER495 4.0 22.4 0.5 NE1 A:TRP477 4.1 16.5 1.0 O A:LEU472 4.2 21.5 1.0 CA A:LEU475 4.3 18.6 1.0 C A:SER474 4.3 20.9 1.0 CB A:SER495 4.4 23.8 0.5 N A:SER474 4.4 22.2 1.0 CD1 A:TRP477 4.4 16.7 1.0 N A:THR496 4.5 20.9 1.0 N A:LYS476 4.6 19.0 1.0 CB A:SER495 4.6 23.4 0.5 O A:HOH2391 4.7 32.0 1.0 CA A:SER474 4.8 21.9 1.0 CA A:THR496 4.8 20.3 1.0 CB A:SER473 4.8 24.6 1.0 CA A:LYS476 4.9 19.5 1.0 CB A:LEU475 4.9 17.4 1.0 O A:SER474 4.9 21.4 1.0 O A:HOH2426 4.9 29.5 1.0 N A:SER473 5.0 22.4 1.0

A.Cartmell, E.C.Lowe, A.Basle, S.J.Firbank, D.A.Ndeh, H.Murray, N.Terrapon, V.Lombard, B.Henrissat, J.E.Turnbull, M.Czjzek, H.J.Gilbert, D.N.Bolam. How Members of the Human Gut Microbiota Overcome the Sulfation Problem Posed By Glycosaminoglycans. Proc. Natl. Acad. Sci. V. 114 7037 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28630303
DOI: 10.1073/PNAS.1704367114