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Magnesium in PDB 7rni: Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen

Enzymatic activity of Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen

All present enzymatic activity of Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen:
2.5.1.58; 2.5.1.59;

Protein crystallography data

The structure of Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen, PDB code: 7rni was solved by A.Hruza, C.L.Strickland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.13 / 1.98
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 169.058, 169.058, 68.846, 90, 90, 120
R / Rfree (%) 16.2 / 18.5

Other elements in 7rni:

The structure of Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen (pdb code 7rni). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen, PDB code: 7rni:

Magnesium binding site 1 out of 1 in 7rni

Go back to Magnesium Binding Sites List in 7rni
Magnesium binding site 1 out of 1 in the Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg504

b:44.7
occ:1.00
 NE2 B:HIS194 2.2 38.3 1.0
O A:HOH664 2.2 33.6 1.0
O A:HOH633 2.3 39.9 1.0
CE1 B:HIS194 3.1 38.8 1.0
HG3 A:GLN167 3.2 38.0 0.0
HE1 B:HIS194 3.2 49.0 0.0
O B:HOH717 3.2 61.0 1.0
CD2 B:HIS194 3.3 37.0 1.0
HB2 A:TYR131 3.4 35.2 0.0
HB3 A:TYR131 3.6 34.6 0.0
HD2 B:HIS194 3.6 44.5 0.0
HE21 A:GLN167 3.7 46.6 0.0
HA A:GLN167 4.0 32.8 0.0
CB A:TYR131 4.0 27.9 1.0
HA2 B:GLY197 4.1 50.2 0.0
ND1 A:HIS170 4.1 33.5 1.0
HH22 A:ARG138 4.2 41.0 0.0
HE2 B:HIS149 4.2 34.1 0.0
CG A:GLN167 4.2 31.0 1.0
ND1 B:HIS194 4.3 38.6 1.0
HB3 A:HIS170 4.3 35.0 0.0
O A:HOH523 4.4 26.1 1.0
CG B:HIS194 4.4 35.7 1.0
HA3 B:GLY197 4.5 49.4 0.0
HD2 B:HIS149 4.5 33.9 0.0
NE2 A:GLN167 4.6 38.7 1.0
O B:HOH788 4.7 55.6 1.0
CG A:HIS170 4.7 31.0 1.0
HG2 A:GLN167 4.7 38.2 0.0
CE1 A:HIS170 4.7 33.6 1.0
HA A:TYR131 4.7 34.8 0.0
CA B:GLY197 4.9 40.0 1.0
HB2 A:HIS170 4.9 34.6 0.0
H B:GLU198 4.9 47.1 0.0
CB A:HIS170 4.9 28.0 1.0
HE1 A:HIS170 4.9 43.4 0.0
CD A:GLN167 4.9 37.6 1.0
NE2 B:HIS149 4.9 28.9 1.0
CA A:GLN167 5.0 26.6 1.0
CG A:TYR131 5.0 29.3 1.0
NH2 A:ARG138 5.0 31.7 1.0

Reference:

M.Bukhtiyarova, E.M.Cook, P.J.Hancock, A.W.Hruza, A.W.Shaw, G.C.Adam, R.J.O.Barnard, P.M.Mckenna, M.K.Holloway, I.M.Bell, S.Carroll, I.Cornella-Taracido, C.D.Cox, P.S.Kutchukian, D.A.Powell, C.Strickland, B.W.Trotter, M.Tudor, S.Wolkenberg, J.Li, D.M.Tellers. Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen. Acs Med Chem Lett V. 12 99 2021.
ISSN: ISSN 1948-5875
PubMed: 33488970
DOI: 10.1021/ACSMEDCHEMLETT.0C00551
Page generated: Thu Oct 3 08:03:47 2024

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