Fluorine in PDB 6qej: Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide

Enzymatic activity of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide

All present enzymatic activity of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide:
3.4.11.18;

Protein crystallography data

The structure of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide, PDB code: 6qej was solved by D.Musil, T.Heinrich, M.Lehmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.25 / 1.62
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 90.565, 99.929, 100.941, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 18.4

Other elements in 6qej:

The structure of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide (pdb code 6qej). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide, PDB code: 6qej:

Fluorine binding site 1 out of 1 in 6qej

Go back to Fluorine Binding Sites List in 6qej
Fluorine binding site 1 out of 1 in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor Thiophene-2-Sulfonic Acid (4-Fluoro-Benzyl)-(4H-[1,2, 4]Triazol-3-Ylmethyl)-Amide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:39.2
occ:1.00
 F7 A:HZT502 0.0 39.2 1.0
C3 A:HZT502 1.3 31.2 1.0
C4 A:HZT502 2.4 29.3 1.0
C2 A:HZT502 2.4 30.5 1.0
CB A:ALA414 2.9 13.6 1.0
CD2 A:HIS382 3.5 15.8 1.0
C1 A:HZT502 3.6 30.1 1.0
C5 A:HZT502 3.6 31.0 1.0
CB A:HIS382 3.8 12.6 1.0
CD A:PRO220 4.0 15.2 1.0
CG A:HIS382 4.0 13.4 1.0
C6 A:HZT502 4.1 30.2 1.0
CA A:ALA414 4.3 13.0 1.0
CB A:PHE219 4.4 14.6 1.0
O A:TYR383 4.6 15.3 1.0
NE2 A:HIS382 4.7 15.1 1.0
CG A:PRO220 4.7 17.8 1.0
CD1 A:TYR444 4.8 15.5 1.0
CG A:TYR444 4.8 14.4 1.0
CB A:TYR444 4.8 13.8 1.0
CA A:HIS382 4.8 12.4 1.0
N A:TYR383 4.8 13.2 1.0

Reference:

T.Heinrich, J.Seenisamy, B.Blume, J.Bomke, M.Calderini, U.Eckert, M.Friese-Hamim, R.Kohl, M.Lehmann, B.Leuthner, D.Musil, F.Rohdich, F.T.Zenke. Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (Metap-2) Inhibitors. J.Med.Chem. V. 62 5025 2019.
ISSN: ISSN 0022-2623
PubMed: 30939017
DOI: 10.1021/ACS.JMEDCHEM.9B00041
Page generated: Sun Dec 13 13:08:14 2020

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