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Zinc in PDB 3nhk: X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2

Enzymatic activity of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2

All present enzymatic activity of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2:
1.10.99.2;

Protein crystallography data

The structure of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2, PDB code: 3nhk was solved by M.Sturdy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.751, 83.661, 106.513, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 22.8

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2 (pdb code 3nhk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2, PDB code: 3nhk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3nhk

Go back to Zinc Binding Sites List in 3nhk
Zinc binding site 1 out of 2 in the X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn231

b:29.4
occ:1.00
ND1 A:HIS173 2.1 21.4 1.0
O A:CYS222 2.2 31.8 1.0
SG A:CYS222 2.3 29.1 1.0
ND1 A:HIS177 2.3 28.0 1.0
CB A:CYS222 2.9 30.3 1.0
C A:CYS222 2.9 30.5 1.0
CG A:HIS173 3.1 18.9 1.0
CE1 A:HIS173 3.1 22.0 1.0
CG A:HIS177 3.2 25.6 1.0
CB A:HIS173 3.3 19.3 1.0
CB A:HIS177 3.3 19.2 1.0
CE1 A:HIS177 3.4 28.6 1.0
CA A:CYS222 3.4 30.4 1.0
CA A:HIS173 3.6 19.0 1.0
N A:THR223 4.0 31.6 1.0
CD2 A:HIS173 4.2 20.6 1.0
NE2 A:HIS173 4.2 24.8 1.0
CD2 A:HIS177 4.4 28.1 1.0
NE2 A:HIS177 4.4 28.1 1.0
N A:HIS173 4.5 18.7 1.0
CA A:THR223 4.5 30.7 1.0
C A:HIS173 4.6 18.1 1.0
N A:CYS222 4.6 30.1 1.0
O A:HIS173 4.6 17.0 1.0
O A:GLN172 4.7 18.0 1.0
CA A:HIS177 4.9 18.9 1.0
C A:GLN172 4.9 18.9 1.0
CE1 A:HIS227 4.9 30.6 1.0
CZ3 A:TRP169 4.9 22.8 1.0

Zinc binding site 2 out of 2 in 3nhk

Go back to Zinc Binding Sites List in 3nhk
Zinc binding site 2 out of 2 in the X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn232

b:21.7
occ:1.00
ND1 B:HIS173 2.1 18.7 1.0
ND1 B:HIS177 2.2 26.7 1.0
SG B:CYS222 2.3 20.9 1.0
O B:CYS222 2.3 18.8 1.0
CB B:CYS222 2.9 22.4 1.0
C B:CYS222 3.0 21.8 1.0
CE1 B:HIS173 3.0 20.7 1.0
CG B:HIS177 3.0 17.5 1.0
CG B:HIS173 3.1 18.6 1.0
CB B:HIS177 3.2 14.9 1.0
CE1 B:HIS177 3.2 24.4 1.0
CB B:HIS173 3.4 16.9 1.0
CA B:CYS222 3.4 22.1 1.0
CA B:HIS173 3.6 16.2 1.0
N B:THR223 4.1 21.3 1.0
NE2 B:HIS173 4.1 19.6 1.0
CD2 B:HIS173 4.2 19.0 1.0
CD2 B:HIS177 4.2 20.8 1.0
NE2 B:HIS177 4.3 25.9 1.0
N B:HIS173 4.6 16.2 1.0
C B:HIS173 4.6 15.8 1.0
N B:CYS222 4.6 21.7 1.0
CA B:THR223 4.6 20.8 1.0
O B:HIS173 4.6 15.3 1.0
O B:GLN172 4.7 17.1 1.0
O B:HOH444 4.7 43.0 1.0
CA B:HIS177 4.8 13.4 1.0
CZ3 B:TRP169 4.9 18.4 1.0
C B:GLN172 4.9 15.8 1.0

Reference:

M.Sturdy, M.Sturdy. N/A N/A.
Page generated: Sat Oct 26 10:15:38 2024

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