Atomistry » Zinc » PDB 3g8q-3gj9 » 3gam
Atomistry »
  Zinc »
    PDB 3g8q-3gj9 »
      3gam »

Zinc in PDB 3gam: Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity

Enzymatic activity of Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity

All present enzymatic activity of Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity:
1.10.99.2;

Protein crystallography data

The structure of Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity, PDB code: 3gam was solved by M.Sturdy, S.D.Pegan, A.Maiti, L.Marler, A.D.Mesecar, J.M.Pezzuto, M.Cushman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.49 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.346, 83.889, 106.696, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity (pdb code 3gam). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity, PDB code: 3gam:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3gam

Go back to Zinc Binding Sites List in 3gam
Zinc binding site 1 out of 2 in the Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn233

b:35.6
occ:1.00
SG A:CYS222 2.0 35.6 1.0
ND1 A:HIS173 2.1 27.4 1.0
ND1 A:HIS177 2.4 34.8 1.0
O A:CYS222 2.4 39.1 1.0
CB A:CYS222 2.9 39.7 1.0
CG A:HIS177 3.1 30.9 1.0
CG A:HIS173 3.1 24.9 1.0
CE1 A:HIS173 3.1 28.6 1.0
CB A:HIS177 3.1 24.8 1.0
C A:CYS222 3.2 39.5 1.0
CB A:HIS173 3.4 23.3 1.0
CE1 A:HIS177 3.5 35.1 1.0
CA A:CYS222 3.6 39.6 1.0
CA A:HIS173 3.6 23.2 1.0
N A:THR223 4.2 38.8 1.0
NE2 A:HIS173 4.2 26.9 1.0
CD2 A:HIS173 4.2 27.0 1.0
CD2 A:HIS177 4.3 35.8 1.0
NE2 A:HIS177 4.4 35.8 1.0
C A:HIS173 4.6 21.9 1.0
O A:HIS173 4.6 23.5 1.0
N A:HIS173 4.6 23.7 1.0
CA A:HIS177 4.7 24.4 1.0
O A:GLN172 4.7 23.0 1.0
CA A:THR223 4.7 38.2 1.0
N A:CYS222 4.8 40.5 1.0
CD1 A:TYR132 4.8 35.1 1.0
CE1 A:TYR132 4.8 33.1 1.0
C A:GLN172 5.0 23.8 1.0

Zinc binding site 2 out of 2 in 3gam

Go back to Zinc Binding Sites List in 3gam
Zinc binding site 2 out of 2 in the Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn233

b:23.8
occ:1.00
ND1 B:HIS173 2.1 24.7 1.0
O B:CYS222 2.1 21.8 1.0
ND1 B:HIS177 2.1 23.0 1.0
SG B:CYS222 2.3 22.4 1.0
CB B:CYS222 2.8 24.0 1.0
C B:CYS222 2.9 22.1 1.0
CG B:HIS177 3.1 19.9 1.0
CG B:HIS173 3.1 22.6 1.0
CE1 B:HIS173 3.1 23.3 1.0
CE1 B:HIS177 3.2 20.7 1.0
CB B:HIS177 3.3 14.8 1.0
CB B:HIS173 3.4 18.7 1.0
CA B:CYS222 3.4 22.3 1.0
CA B:HIS173 3.6 18.5 1.0
N B:THR223 4.1 21.0 1.0
NE2 B:HIS173 4.2 20.5 1.0
CD2 B:HIS173 4.2 22.4 1.0
CD2 B:HIS177 4.2 24.3 1.0
NE2 B:HIS177 4.3 24.2 1.0
CA B:THR223 4.5 20.1 1.0
N B:CYS222 4.6 23.0 1.0
N B:HIS173 4.6 18.1 1.0
C B:HIS173 4.6 17.1 1.0
O B:HIS173 4.7 17.3 1.0
O B:GLN172 4.7 15.7 1.0
CA B:HIS177 4.8 14.3 1.0
O B:HOH298 4.9 40.1 1.0
CZ3 B:TRP169 5.0 22.5 1.0
C B:GLN172 5.0 16.9 1.0

Reference:

A.Maiti, P.V.Reddy, M.Sturdy, L.Marler, S.D.Pegan, A.D.Mesecar, J.M.Pezzuto, M.Cushman. Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activities. J.Med.Chem. V. 52 1873 2009.
ISSN: ISSN 0022-2623
PubMed: 19265439
DOI: 10.1021/JM801335Z
Page generated: Wed Dec 16 04:20:23 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy