Atomistry » Fluorine » PDB 6ffb-6g0l » 6fwc
Atomistry »
  Fluorine »
    PDB 6ffb-6g0l »
      6fwc »

Fluorine in PDB 6fwc: Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide

Enzymatic activity of Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide

All present enzymatic activity of Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide:
1.4.3.4;

Protein crystallography data

The structure of Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide, PDB code: 6fwc was solved by J.Reis, N.Manzella, F.Cagide, J.Mialet-Perez, E.Uriarte, A.Parini, F.Borges, C.Binda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.30 / 1.70
Space group C 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.728, 222.051, 86.293, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 18.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide (pdb code 6fwc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide, PDB code: 6fwc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6fwc

Go back to Fluorine Binding Sites List in 6fwc
Fluorine binding site 1 out of 2 in the Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide


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 Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:20.5
occ:1.00
FAC A:E98602 0.0 20.5 1.0
CAP A:E98602 1.3 17.3 1.0
CAL A:E98602 2.4 17.0 1.0
CAG A:E98602 2.4 17.6 1.0
CH2 A:TRP119 3.5 12.9 1.0
CAF A:E98602 3.6 17.2 1.0
CAQ A:E98602 3.6 16.8 1.0
CB A:PHE168 3.7 10.6 1.0
CD1 A:LEU164 3.9 13.0 1.0
CA A:PHE168 4.0 10.5 1.0
CZ2 A:TRP119 4.0 13.2 1.0
CD1 A:PHE168 4.1 11.6 1.0
CAH A:E98602 4.1 17.5 1.0
CD2 A:LEU167 4.2 12.6 1.0
CG A:PHE168 4.3 11.2 1.0
N A:PHE168 4.3 10.6 1.0
O A:LEU164 4.4 11.0 1.0
CG A:LEU164 4.5 12.4 1.0
CG2 A:ILE199 4.5 12.1 1.0
CZ3 A:TRP119 4.6 12.8 1.0
OAA A:E98602 4.8 17.3 1.0
NAM A:E98602 4.8 17.4 1.0
CB A:ILE199 5.0 11.7 1.0

Fluorine binding site 2 out of 2 in 6fwc

Go back to Fluorine Binding Sites List in 6fwc
Fluorine binding site 2 out of 2 in the Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Monoamine Oxidase B (Mao B) in Complex with Fluorophenyl-Chromone-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F602

b:19.1
occ:1.00
FAC B:E98602 0.0 19.1 1.0
CAP B:E98602 1.3 17.2 1.0
CAG B:E98602 2.3 16.6 1.0
CAL B:E98602 2.4 17.0 1.0
CH2 B:TRP119 3.5 12.6 1.0
CAF B:E98602 3.6 16.2 1.0
CAQ B:E98602 3.7 16.8 1.0
CB B:PHE168 3.7 10.1 1.0
CD1 B:LEU164 3.8 13.9 1.0
CZ2 B:TRP119 4.0 12.9 1.0
CA B:PHE168 4.1 9.9 1.0
CAH B:E98602 4.1 16.3 1.0
CD1 B:PHE168 4.2 10.3 1.0
CG B:LEU164 4.3 13.4 1.0
CD2 B:LEU167 4.3 10.6 1.0
CG B:PHE168 4.4 10.4 1.0
O B:LEU164 4.4 11.8 1.0
N B:PHE168 4.4 9.8 1.0
CZ3 B:TRP119 4.7 12.7 1.0
CG2 B:ILE199 4.7 11.0 1.0
OAA B:E98602 4.8 17.4 1.0
CD2 B:LEU164 4.9 13.9 1.0
NAM B:E98602 4.9 16.8 1.0

Reference:

J.Reis, N.Manzella, F.Cagide, J.Mialet-Perez, E.Uriarte, A.Parini, F.Borges, C.Binda. Tight-Binding Inhibition of Human Monoamine Oxidase B By Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis. J. Med. Chem. V. 61 4203 2018.
ISSN: ISSN 1520-4804
PubMed: 29648817
DOI: 10.1021/ACS.JMEDCHEM.8B00357
Page generated: Tue Jul 15 11:41:50 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy