Zinc in PDB 4lv4: A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase

All present enzymatic activity of A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase:
4.1.2.13;

The structure of A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase, PDB code: 4lv4 was solved by G.C.Capodagli, S.D.Pegan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.18 / 2.08
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.559, 118.933, 165.184, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19.1

The binding sites of Zinc atom in the A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase (pdb code 4lv4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase, PDB code: 4lv4:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:34.9 occ:1.00 N05 A:8HC403 2.0 35.3 1.0 NE2 A:HIS96 2.0 28.7 1.0 ND1 A:HIS252 2.1 26.4 1.0 O03 A:8HC403 2.1 30.9 1.0 O12 A:8HC403 2.2 32.1 1.0 CE1 A:HIS96 2.7 24.2 1.0 C02 A:8HC403 2.8 31.3 1.0 C04 A:8HC403 2.8 37.1 1.0 H121 A:8HC403 2.9 38.5 1.0 C06 A:8HC403 2.9 45.8 1.0 CG A:HIS252 3.0 27.9 1.0 C11 A:8HC403 3.0 30.1 1.0 CE1 A:HIS252 3.1 21.6 1.0 CD2 A:HIS96 3.3 29.7 1.0 CB A:HIS252 3.3 24.4 1.0 ND1 A:HIS96 3.9 30.1 1.0 O01 A:8HC403 4.0 32.2 1.0 O A:HOH533 4.1 22.6 1.0 NE2 A:HIS252 4.1 25.2 1.0 CD2 A:HIS252 4.2 23.3 1.0 C14 A:8HC403 4.2 44.0 1.0 OE1 A:GLU161 4.2 32.9 1.0 CG A:HIS96 4.2 30.1 1.0 C07 A:8HC403 4.2 50.0 1.0 C10 A:8HC403 4.4 43.9 1.0 CA A:HIS252 4.6 26.8 1.0 O A:HOH652 4.6 43.4 1.0 C13 A:8HC403 4.7 42.3 1.0 O A:HOH756 4.8 49.1 1.0 H101 A:8HC403 4.9 52.7 1.0 H141 A:8HC403 4.9 52.8 1.0 O A:HOH598 5.0 54.8 1.0

Zinc binding site 2 out of 2 in the A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of A Noncompetitive Inhibitor For M. Tuberculosis'S Class Iia Fructose 1, 6-Bisphosphate Aldolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:32.8 occ:1.00 ND1 A:HIS344 2.0 21.2 1.0 NE2 A:HIS346 2.1 36.5 1.0 O A:HOH538 2.2 33.0 1.0 CE1 A:HIS344 2.9 30.6 1.0 CE1 A:HIS346 3.0 32.5 1.0 CD2 A:HIS346 3.1 39.7 1.0 CG A:HIS344 3.1 27.1 1.0 O A:HOH514 3.6 33.2 1.0 CB A:HIS344 3.6 27.6 1.0 CA A:HIS344 4.0 30.3 1.0 NE2 A:HIS344 4.1 24.5 1.0 ND1 A:HIS346 4.1 39.1 1.0 CD2 A:HIS344 4.2 24.4 1.0 CG A:HIS346 4.2 43.4 1.0 O A:HIS344 4.8 32.2 1.0 C A:HIS344 4.8 42.2 1.0

G.C.Capodagli, W.G.Sedhom, M.Jackson, K.A.Ahrendt, S.D.Pegan. A Noncompetitive Inhibitor For Mycobacterium Tuberculosis'S Class Iia Fructose 1,6-Bisphosphate Aldolase. Biochemistry V. 53 202 2014.
ISSN: ISSN 0006-2960
PubMed: 24325645
DOI: 10.1021/BI401022B