Sodium in PDB 5uip: Structure of Dhfr with Bound Dap, P-Abg and Nadp

All present enzymatic activity of Structure of Dhfr with Bound Dap, P-Abg and Nadp:
1.5.1.3;

The structure of Structure of Dhfr with Bound Dap, P-Abg and Nadp, PDB code: 5uip was solved by L.C.Pedersen, R.E.London, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.81 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.597, 46.115, 47.982, 78.04, 75.80, 75.53
R / Rfree (%)	15.8 / 19.1

The binding sites of Sodium atom in the Structure of Dhfr with Bound Dap, P-Abg and Nadp (pdb code 5uip). 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 Dhfr with Bound Dap, P-Abg and Nadp, PDB code: 5uip:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Structure of Dhfr with Bound Dap, P-Abg and Nadp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Dhfr with Bound Dap, P-Abg and Nadp within 5.0Å range: probe atom residue distance (Å) B Occ A:Na204 b:33.7 occ:1.00 O A:HOH406 2.4 20.3 1.0 O A:HOH330 2.7 24.5 1.0 OH A:TYR111 4.0 20.6 1.0 NZ A:LYS109 4.1 20.2 1.0 NZ A:LYS38 4.4 18.4 1.0 O A:HOH430 4.5 25.8 1.0 OE1 A:GLU90 4.6 21.0 1.0 OD1 A:ASN34 4.6 18.4 1.0 O A:HOH480 4.6 29.8 1.0 O A:HOH384 5.0 21.0 1.0

Sodium binding site 2 out of 2 in the Structure of Dhfr with Bound Dap, P-Abg and Nadp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of Dhfr with Bound Dap, P-Abg and Nadp within 5.0Å range: probe atom residue distance (Å) B Occ B:Na204 b:23.1 occ:1.00 O A:HOH473 2.2 18.8 1.0 O B:HOH357 2.2 14.5 1.0 O A:HOH355 2.2 17.2 1.0 O A:HOH340 2.3 20.1 1.0 O B:HOH349 2.3 20.3 1.0 OH B:TYR111 3.9 18.9 1.0 OD2 A:ASP11 4.0 16.5 1.0 NZ B:LYS38 4.1 18.8 1.0 O B:HOH386 4.1 19.9 1.0 O A:HOH361 4.1 21.8 1.0 O A:HOH368 4.2 16.6 1.0 OD1 A:ASP11 4.2 14.8 1.0 OE1 B:GLU90 4.2 16.7 1.0 O B:HOH388 4.2 19.2 1.0 NZ B:LYS109 4.3 27.8 1.0 OD1 B:ASN34 4.4 19.4 1.0 O A:HOH303 4.5 22.2 1.0 CG A:ASP11 4.5 16.3 1.0 O B:HOH463 4.9 34.8 1.0 CZ B:TYR111 5.0 19.4 1.0

S.A.Gabel, M.R.Duff, L.C.Pedersen, E.F.Derose, J.M.Krahn, E.E.Howell, R.E.London. A Structural Basis For Biguanide Activity. Biochemistry V. 56 4786 2017.
ISSN: ISSN 1520-4995
PubMed: 28766937
DOI: 10.1021/ACS.BIOCHEM.7B00619