Sodium in PDB 7jg4: Human Gar Transformylase in Complex with Gar Substrate and AGF131 Inhibitor

All present enzymatic activity of Human Gar Transformylase in Complex with Gar Substrate and AGF131 Inhibitor:
2.1.2.2; 6.3.3.1; 6.3.4.13;

The structure of Human Gar Transformylase in Complex with Gar Substrate and AGF131 Inhibitor, PDB code: 7jg4 was solved by J.Wong-Roushar, C.E.Dann Iii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.56 / 2.46
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.278, 74.278, 100.344, 90, 90, 120
R / Rfree (%)	18.8 / 25.5

The binding sites of Sodium atom in the Human Gar Transformylase in Complex with Gar Substrate and AGF131 Inhibitor (pdb code 7jg4). 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 Human Gar Transformylase in Complex with Gar Substrate and AGF131 Inhibitor, PDB code: 7jg4:

Sodium binding site 1 out of 1 in the Human Gar Transformylase in Complex with Gar Substrate and AGF131 Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Gar Transformylase in Complex with Gar Substrate and AGF131 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1103 b:89.4 occ:1.00 H242 A:GAR1101 2.3 91.0 1.0 H231 A:GAR1101 2.5 82.6 1.0 ND1 A:HIS915 2.7 41.6 1.0 N24 A:GAR1101 2.8 75.8 1.0 OD1 A:ASP951 2.8 71.4 1.0 ND2 A:ASN913 3.0 46.4 1.0 C30 A:V9V1102 3.0 74.6 0.8 C23 A:GAR1101 3.1 68.8 1.0 CB A:HIS915 3.4 29.8 1.0 CG A:HIS915 3.4 38.7 1.0 CG A:ASP951 3.5 79.2 1.0 H241 A:GAR1101 3.5 91.0 1.0 OD2 A:ASP951 3.6 76.1 1.0 H232 A:GAR1101 3.6 82.6 1.0 CE1 A:HIS915 3.8 39.7 1.0 C31 A:V9V1102 3.8 76.4 0.8 C15 A:V9V1102 3.8 81.0 0.8 CG A:ASN913 4.0 45.5 1.0 CA A:HIS915 4.1 32.5 1.0 C16 A:V9V1102 4.2 85.7 0.8 OD1 A:ASN913 4.2 43.2 1.0 O A:ILE914 4.3 43.1 1.0 C29 A:V9V1102 4.3 74.0 0.8 C21 A:GAR1101 4.4 66.2 1.0 C7 A:V9V1102 4.4 68.8 0.8 CD2 A:HIS915 4.6 35.4 1.0 N A:HIS915 4.7 37.6 1.0 NE2 A:HIS915 4.8 36.5 1.0 CB A:ASP951 4.8 84.2 1.0 C6 A:V9V1102 4.8 70.8 0.8 C A:ILE914 4.8 42.1 1.0 NE2 A:HIS944 4.9 40.5 1.0 O22 A:GAR1101 5.0 68.7 1.0

A.Wallace-Povirk, N.Tong, J.Wong-Roushar, C.O'connor, X.Zhou, Z.Hou, X.Bao, G.E.Garcia, J.Li, S.Kim, C.E.Dann Iii, L.H.Matherly, A.Gangjee. Discovery of 6-Substituted Thieno[2,3-D]Pyrimidine Analogs As Dual Inhibitors of Glycinamide Ribonucleotide Formyltransferase and 5-Aminoimidazole-4-Carboxamide Ribonucleotide Formyltransferase in De Novo Purine Nucleotide Biosynthesis in Folate Receptor Expressing Human Tumors Bioorg.Med.Chem. V. 37 16093 2021.
ISSN: ESSN 1464-3391
DOI: 10.1016/J.BMC.2021.116093