Sodium in PDB 9cum: Q67H Mutant of R67 Dhfr Complexed with Congo Red

All present enzymatic activity of Q67H Mutant of R67 Dhfr Complexed with Congo Red:
1.5.1.3;

The structure of Q67H Mutant of R67 Dhfr Complexed with Congo Red, PDB code: 9cum was solved by N.Narayana, A.N.Narendra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.15
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.303, 67.303, 52.684, 90, 90, 90
R / Rfree (%)	12.2 / 13.5

The binding sites of Sodium atom in the Q67H Mutant of R67 Dhfr Complexed with Congo Red (pdb code 9cum). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Q67H Mutant of R67 Dhfr Complexed with Congo Red, PDB code: 9cum:

Sodium binding site 1 out of 1 in the Q67H Mutant of R67 Dhfr Complexed with Congo Red


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Q67H Mutant of R67 Dhfr Complexed with Congo Red within 5.0Å range: probe atom residue distance (Å) B Occ A:Na80 b:18.9 occ:0.50 H8 A:CGO79 0.6 10.3 0.2 C8 A:CGO79 1.5 12.1 0.2 H A:ILE68 2.1 10.3 1.0 O A:HOH157 2.2 15.0 0.5 O1 A:CGO79 2.4 17.5 0.2 C9 A:CGO79 2.5 14.4 0.2 C7 A:CGO79 2.5 10.5 0.2 HA A:HIS67 2.5 10.3 1.0 HG12 A:ILE68 2.8 10.3 1.0 S1 A:CGO79 3.0 19.1 0.2 N A:ILE68 3.0 5.5 1.0 N2 A:CGO79 3.0 9.2 0.2 HG13 A:ILE68 3.1 10.3 1.0 CA A:HIS67 3.3 5.1 1.0 CG1 A:ILE68 3.4 9.6 1.0 HB3 A:HIS67 3.4 10.3 1.0 C A:HIS67 3.6 5.2 1.0 CB A:HIS67 3.7 6.0 1.0 CG A:HIS67 3.8 6.4 1.0 HD2 A:HIS67 3.8 10.3 1.0 C16 A:CGO79 3.8 11.7 0.2 C10 A:CGO79 3.8 13.3 0.2 O3 A:CGO79 3.8 19.1 0.2 CD2 A:HIS67 3.9 6.6 1.0 O A:ILE68 3.9 6.6 1.0 CA A:ILE68 4.0 5.7 1.0 O2 A:CGO79 4.1 21.2 0.2 N1 A:CGO79 4.2 10.4 0.2 CB A:ILE68 4.3 7.0 1.0 O A:VAL66 4.3 6.0 1.0 C15 A:CGO79 4.3 13.4 0.2 C A:ILE68 4.4 5.5 1.0 HD12 A:ILE68 4.5 10.3 1.0 N A:HIS67 4.5 5.0 1.0 ND1 A:HIS67 4.6 8.1 1.0 CD1 A:ILE68 4.6 11.8 1.0 HG22 A:ILE68 4.6 10.3 1.0 HB2 A:HIS67 4.6 10.3 1.0 NE2 A:HIS67 4.7 7.6 1.0 HA A:ILE68 4.8 10.3 1.0 O A:HIS67 4.8 6.5 1.0 C A:VAL66 4.8 4.8 1.0 HD13 A:ILE68 4.9 10.3 1.0 N3 A:CGO79 4.9 12.2 0.2 HD1 A:HIS67 5.0 12.0 1.0

A.N.Narendra, E.E.Howell, N.Narayana. Crystal Structure of the Plasmid-Encoded R67 Dihydrofolate Reductase Complexed with Congo Red An Amyloid Binding Dye Sci Rep V. 15 5212 2025.
ISSN: ESSN 2045-2322
DOI: 10.1038/S41598-025-89539-3