Atomistry » Zinc » PDB 5k8p-5kgm » 5kbe
Atomistry »
  Zinc »
    PDB 5k8p-5kgm »
      5kbe »

Zinc in PDB 5kbe: Crystal Structure of the Aromatic Sensor Domain of Mopr in Complex with Phenol

Protein crystallography data

The structure of Crystal Structure of the Aromatic Sensor Domain of Mopr in Complex with Phenol, PDB code: 5kbe was solved by S.Ray, R.Anand, S.Panjikar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.66 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.178, 93.064, 119.867, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 24.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Aromatic Sensor Domain of Mopr in Complex with Phenol (pdb code 5kbe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Aromatic Sensor Domain of Mopr in Complex with Phenol, PDB code: 5kbe:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5kbe

Go back to Zinc Binding Sites List in 5kbe
Zinc binding site 1 out of 2 in the Crystal Structure of the Aromatic Sensor Domain of Mopr in Complex with Phenol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Aromatic Sensor Domain of Mopr in Complex with Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:32.8
occ:1.00
SG A:CYS189 2.2 31.1 1.0
SG A:CYS181 2.3 28.1 1.0
OE2 A:GLU178 2.3 26.5 1.0
SG A:CYS155 2.3 35.5 1.0
CD A:GLU178 3.2 29.8 1.0
CB A:CYS155 3.4 29.0 1.0
CB A:CYS181 3.4 26.5 1.0
OE1 A:GLU178 3.5 34.2 1.0
CB A:CYS189 3.6 36.9 1.0
CA A:CYS181 3.8 29.0 1.0
CB A:ALA140 3.8 30.7 1.0
N A:VAL182 3.8 31.7 1.0
N A:CYS155 4.2 30.6 1.0
C A:CYS181 4.3 32.6 1.0
OG A:SER137 4.3 33.9 1.0
CA A:CYS155 4.4 30.9 1.0
CG A:GLU178 4.6 28.9 1.0
N A:ALA154 4.6 29.1 1.0
CB A:SER137 4.6 29.6 1.0
CA A:ALA140 4.7 33.9 1.0
CA A:CYS189 4.7 38.0 1.0
N A:ALA183 4.8 35.8 1.0
O A:HIS180 4.9 36.4 1.0
CA A:VAL182 4.9 29.9 1.0
CB A:VAL182 4.9 27.3 1.0
N A:ALA140 4.9 31.8 1.0
CE3 A:TRP134 5.0 22.8 1.0

Zinc binding site 2 out of 2 in 5kbe

Go back to Zinc Binding Sites List in 5kbe
Zinc binding site 2 out of 2 in the Crystal Structure of the Aromatic Sensor Domain of Mopr in Complex with Phenol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Aromatic Sensor Domain of Mopr in Complex with Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:36.5
occ:1.00
OE2 B:GLU178 2.2 31.6 1.0
SG B:CYS181 2.2 30.8 1.0
SG B:CYS155 2.3 31.2 1.0
SG B:CYS189 2.3 36.5 1.0
CD B:GLU178 3.3 37.3 1.0
CB B:CYS181 3.3 31.6 1.0
CB B:CYS155 3.4 26.8 1.0
CB B:CYS189 3.4 35.3 1.0
CA B:CYS181 3.7 32.6 1.0
OE1 B:GLU178 3.8 33.8 1.0
N B:VAL182 3.9 40.9 1.0
N B:CYS155 4.0 29.9 1.0
CB B:ALA140 4.1 32.1 1.0
C B:CYS181 4.2 38.5 1.0
CA B:CYS155 4.3 30.6 1.0
N B:ALA183 4.5 51.8 1.0
OG B:SER137 4.5 32.5 1.0
CA B:CYS189 4.5 33.6 1.0
CG B:GLU178 4.6 35.7 1.0
N B:ALA154 4.6 35.8 1.0
CB B:SER137 4.8 29.0 1.0
O B:HIS180 4.8 37.6 1.0
CA B:ALA140 4.9 32.4 1.0
CB B:ALA183 4.9 49.6 1.0
C B:ALA154 4.9 33.8 1.0
CA B:VAL182 5.0 42.7 1.0
N B:CYS181 5.0 31.5 1.0

Reference:

S.Ray, M.J.Gunzburg, M.Wilce, S.Panjikar, R.Anand. Structural Basis of Selective Aromatic Pollutant Sensing By the Effector Binding Domain of Mopr, An Ntrc Family Transcriptional Regulator. Acs Chem.Biol. V. 11 2357 2016.
ISSN: ESSN 1554-8937
PubMed: 27362503
DOI: 10.1021/ACSCHEMBIO.6B00020
Page generated: Wed Dec 16 06:26:43 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy