Atomistry » Chlorine » PDB 3uwd-3v66 » 3uxe
Atomistry »
  Chlorine »
    PDB 3uwd-3v66 »
      3uxe »

Chlorine in PDB 3uxe: Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2

Enzymatic activity of Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2

All present enzymatic activity of Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2:
1.10.99.2;

Protein crystallography data

The structure of Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2, PDB code: 3uxe was solved by N.P.Reddy, K.C.Jensen, A.D.Mesecar, P.E.Fanwick, M.Cushman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.68 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.553, 83.953, 106.815, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 19.7

Other elements in 3uxe:

The structure of Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2 (pdb code 3uxe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2, PDB code: 3uxe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3uxe

Go back to Chlorine Binding Sites List in 3uxe
Chlorine binding site 1 out of 2 in the Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:24.8
occ:1.00
CL1 A:465303 0.0 24.8 1.0
C5 A:465303 1.7 19.8 1.0
C4 A:465303 2.6 21.7 1.0
N17 A:465303 2.7 24.5 1.0
C6 A:465303 2.8 21.4 1.0
N15 A:465303 3.1 23.2 1.0
C6 A:FAD302 3.3 14.1 1.0
O B:HOH540 3.4 20.3 1.0
CE1 B:PHE126 3.4 17.6 1.0
CZ B:PHE126 3.4 17.8 1.0
O A:HOH497 3.5 25.1 1.0
CZ2 A:TRP105 3.5 14.9 1.0
C5X A:FAD302 3.5 12.1 1.0
C7 A:FAD302 3.6 13.8 1.0
CE2 A:TRP105 3.8 17.2 1.0
CH2 A:TRP105 3.9 18.4 1.0
N5 A:FAD302 3.9 13.3 1.0
C3 A:465303 4.0 17.9 1.0
C1 A:465303 4.0 22.4 1.0
C18 A:465303 4.1 37.5 1.0
C9A A:FAD302 4.1 13.8 1.0
C8 A:FAD302 4.2 13.9 1.0
NE1 A:TRP105 4.3 14.0 1.0
C7M A:FAD302 4.3 14.2 1.0
C9 A:FAD302 4.4 15.8 1.0
C2 A:465303 4.4 19.9 1.0
O B:LEU120 4.4 17.7 1.0
CE2 B:PHE126 4.4 18.9 1.0
CD2 A:TRP105 4.4 13.7 1.0
CZ3 A:TRP105 4.5 14.5 1.0
CD1 B:PHE126 4.5 17.9 1.0
CE3 A:TRP105 4.7 13.7 1.0
C4X A:FAD302 4.8 13.7 1.0
N10 A:FAD302 4.9 13.7 1.0

Chlorine binding site 2 out of 2 in 3uxe

Go back to Chlorine Binding Sites List in 3uxe
Chlorine binding site 2 out of 2 in the Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors For Quinone Reductase 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:26.7
occ:1.00
CL1 B:465304 0.0 26.7 1.0
C5 B:465304 1.8 20.8 1.0
C4 B:465304 2.6 22.5 1.0
C6 B:465304 2.8 22.6 1.0
N17 B:465304 2.9 24.7 1.0
N15 B:465304 3.1 25.2 1.0
C6 B:FAD303 3.2 16.3 1.0
CZ A:PHE126 3.3 23.4 1.0
O B:HOH542 3.4 23.6 1.0
C5X B:FAD303 3.4 14.6 1.0
O A:HOH485 3.4 21.2 1.0
C7 B:FAD303 3.5 16.2 1.0
CE1 A:PHE126 3.5 21.7 1.0
CZ2 B:TRP105 3.6 20.0 1.0
N5 B:FAD303 3.8 16.0 1.0
C9A B:FAD303 3.9 13.4 1.0
CE2 B:TRP105 3.9 16.0 1.0
CH2 B:TRP105 4.0 21.3 1.0
C3 B:465304 4.0 21.8 1.0
C8 B:FAD303 4.0 16.6 1.0
C1 B:465304 4.1 24.1 1.0
C9 B:FAD303 4.2 15.0 1.0
C7M B:FAD303 4.2 18.6 1.0
C18 B:465304 4.3 33.6 1.0
CE2 A:PHE126 4.4 25.4 1.0
NE1 B:TRP105 4.4 18.0 1.0
C2 B:465304 4.4 23.7 1.0
O A:LEU120 4.6 22.3 1.0
CD2 B:TRP105 4.6 17.8 1.0
CZ3 B:TRP105 4.6 22.2 1.0
C4X B:FAD303 4.7 17.2 1.0
CD1 A:PHE126 4.7 23.4 1.0
N10 B:FAD303 4.7 15.8 1.0
CE3 B:TRP105 4.9 18.2 1.0

Reference:

P.V.Reddy, K.C.Jensen, A.D.Mesecar, P.E.Fanwick, M.Cushman. Design, Synthesis, and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues As Inhibitors of Quinone Reductase 2. J.Med.Chem. V. 55 367 2012.
ISSN: ISSN 0022-2623
PubMed: 22206487
DOI: 10.1021/JM201251C
Page generated: Sun Jul 21 06:36:26 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy