Zinc in PDB 7rn5: 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: 7rn5 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) 34.00 / 2.28
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 171.115, 171.115, 69.184, 90, 90, 120
R / Rfree (%) 16.9 / 19.5

Other elements in 7rn5:

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

Magnesium (Mg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen (pdb code 7rn5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Discovery of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen, PDB code: 7rn5:

Zinc binding site 1 out of 1 in 7rn5

Go back to Zinc Binding Sites List in 7rn5
Zinc 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 Zinc with other atoms in the Zn 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:Zn502

b:67.5
occ:1.00
 OD2 B:ASP297 2.3 53.0 1.0
NE2 B:HIS362 2.3 49.8 1.0
OD1 B:ASP297 2.4 49.6 1.0
SG B:CYS299 2.4 51.5 1.0
O B:HOH1132 2.5 53.9 1.0
CG B:ASP297 2.6 49.3 1.0
HB3 B:CYS299 2.8 49.2 0.0
HE2 B:TYR361 3.0 50.6 0.0
H B:CYS299 3.0 47.7 0.0
CB B:CYS299 3.1 45.8 1.0
CE1 B:HIS362 3.2 49.9 1.0
CD2 B:HIS362 3.3 48.6 1.0
HE1 B:HIS362 3.4 55.3 0.0
HD2 B:HIS362 3.5 54.1 0.0
HB2 B:ASP352 3.5 63.9 0.0
N B:CYS299 3.9 44.0 1.0
HB2 B:CYS299 4.0 48.4 0.0
HH B:TYR361 4.0 55.0 0.0
CE2 B:TYR361 4.0 47.5 1.0
CB B:ASP297 4.1 44.9 1.0
CA B:CYS299 4.1 44.8 1.0
HA B:ASP352 4.2 63.0 0.0
ND1 B:HIS362 4.3 49.7 1.0
CG B:HIS362 4.3 47.6 1.0
HE2 B:TYR300 4.4 50.4 0.0
HB3 B:ASP297 4.4 48.5 0.0
CB B:ASP352 4.4 56.3 1.0
H B:TYR300 4.5 46.5 0.0
HD2 B:TYR361 4.6 50.2 0.0
HB2 B:ASP297 4.6 49.3 0.0
O B:HOH1027 4.6 63.0 1.0
CG B:ASP352 4.7 60.8 1.0
CE2 B:TYR300 4.8 47.6 1.0
HD2 B:TYR300 4.8 49.5 0.0
CD2 B:TYR361 4.8 46.2 1.0
CA B:ASP352 4.9 55.2 1.0
OH B:TYR361 4.9 52.0 1.0
HA B:CYS299 4.9 48.2 0.0
C B:ASP297 4.9 44.2 1.0
CZ B:TYR361 5.0 49.4 1.0
CD2 B:TYR300 5.0 46.5 1.0
C B:CYS299 5.0 44.8 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: Wed Oct 30 10:29:27 2024

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