Potassium in PDB 6r2p: Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid

All present enzymatic activity of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid:
4.1.1.102;

The structure of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid, PDB code: 6r2p was solved by S.S.Bailey, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.14 / 1.26
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.895, 63.835, 87.651, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 18.7

The structure of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Potassium atom in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid (pdb code 6r2p). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid, PDB code: 6r2p:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:K603 b:6.5 occ:1.00 OE2 A:GLU233 2.7 6.4 1.0 O A:MET225 2.8 6.7 1.0 O A:ALA222 2.8 6.4 1.0 O2P A:FMN601 2.8 5.3 1.0 O5' A:FMN601 3.0 6.2 1.0 O A:SER223 3.0 7.5 1.0 O A:TRP169 3.0 6.9 1.0 O A:HOH727 3.3 6.0 1.0 P A:FMN601 3.4 5.6 1.0 C A:SER223 3.5 6.3 1.0 CD A:GLU233 3.6 5.4 1.0 O3P A:FMN601 3.6 5.9 1.0 MN A:MN602 3.7 6.3 1.0 CA A:SER223 3.7 5.9 1.0 CG A:GLU233 3.8 6.4 1.0 C A:ALA222 3.8 5.9 1.0 C A:MET225 3.9 6.0 1.0 N A:MET225 4.1 6.3 1.0 C5' A:FMN601 4.2 5.4 1.0 C A:TRP169 4.2 5.5 1.0 N A:SER223 4.3 5.6 1.0 C4' A:FMN601 4.3 5.0 1.0 O4' A:FMN601 4.3 6.3 1.0 CB A:SER170 4.4 5.9 1.0 N A:SER224 4.4 5.6 1.0 CA A:SER170 4.4 6.1 1.0 CA A:MET225 4.5 5.9 1.0 OE1 A:GLU233 4.7 6.4 1.0 O1P A:FMN601 4.8 6.1 1.0 ND2 A:ASN168 4.8 6.7 1.0 C A:SER224 4.8 6.3 1.0 N A:SER170 4.9 5.5 1.0 CG1 A:ILE227 4.9 8.0 1.0 N A:ILE227 4.9 6.0 1.0 N A:PRO226 4.9 5.8 1.0 CB A:SER223 5.0 6.0 1.0 CA A:SER224 5.0 5.3 1.0

Potassium binding site 2 out of 2 in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Fmn and Cinnamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:K604 b:7.4 occ:1.00 O A:LEU461 2.7 8.5 1.0 O A:ARG421 2.7 7.8 1.0 O A:ASP459 2.7 7.8 1.0 OD2 A:ASP427 2.8 7.3 1.0 CG A:ASP427 3.4 7.9 1.0 C A:ASP459 3.7 7.3 1.0 C A:LEU461 3.8 7.3 1.0 C A:ARG421 3.8 6.3 1.0 CB A:ASP427 3.9 6.7 1.0 CA A:CYS422 4.1 6.4 1.0 OD1 A:ASP427 4.1 8.7 1.0 N A:LEU461 4.2 6.8 1.0 CA A:ALA460 4.3 6.8 1.0 C A:ALA460 4.4 6.3 1.0 N A:ALA460 4.4 6.5 1.0 N A:CYS422 4.4 6.5 1.0 CG A:ASP459 4.5 9.3 1.0 CB A:ASP459 4.5 8.1 1.0 CA A:LEU461 4.6 6.8 1.0 N A:MET462 4.6 8.3 1.0 CA A:MET462 4.7 7.5 1.0 OD1 A:ASP459 4.7 9.4 1.0 N A:ARG423 4.7 5.4 1.0 CA A:ASP459 4.8 7.3 1.0 OD2 A:ASP459 4.8 12.6 1.0 CA A:ARG421 4.9 6.2 1.0 CB A:CYS422 5.0 7.6 1.0

S.S.Bailey, K.A.P.Payne, A.Saaret, S.A.Marshall, I.Gostimskaya, I.Kosov, K.Fisher, S.Hay, D.Leys. Atomic Description of An Enzyme Reaction Dependent on Reversible 1,3-Dipolar Cycloaddition To Be Published.