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Potassium in PDB 6r3g: Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2)

Enzymatic activity of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2)

All present enzymatic activity of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2):
4.1.1.102;

Protein crystallography data

The structure of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2), PDB code: 6r3g 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) 64.81 / 1.13
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.132, 64.054, 87.748, 90.00, 90.00, 90.00
R / Rfree (%) 12 / 13.9

Other elements in 6r3g:

The structure of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2) also contains other interesting chemical elements:

Fluorine (F) 1 atom
Manganese (Mn) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2) (pdb code 6r3g). 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) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2), PDB code: 6r3g:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 6r3g

Go back to Potassium Binding Sites List in 6r3g
Potassium binding site 1 out of 2 in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2)


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) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K602

b:7.1
occ:1.00
 OE2 A:GLU233 2.8 7.1 1.0
O A:MET225 2.8 7.4 1.0
O A:ALA222 2.8 7.0 1.0
O30 A:JQQ604 2.8 6.5 1.0
O28 A:JQQ604 3.0 6.3 1.0
O A:TRP169 3.1 6.7 1.0
O A:SER223 3.1 8.1 1.0
O A:HOH718 3.3 7.0 1.0
P29 A:JQQ604 3.4 6.3 1.0
C A:SER223 3.5 6.6 1.0
O32 A:JQQ604 3.6 7.2 1.0
CD A:GLU233 3.6 6.9 1.0
MN A:MN601 3.7 6.9 1.0
CA A:SER223 3.7 6.5 1.0
CG A:GLU233 3.8 7.2 1.0
C A:ALA222 3.9 6.7 1.0
C A:MET225 3.9 6.6 1.0
N A:MET225 4.1 6.9 1.0
C43 A:JQQ604 4.2 6.4 1.0
C A:TRP169 4.3 6.5 1.0
N A:SER223 4.3 6.7 1.0
C27 A:JQQ604 4.3 6.2 1.0
O35 A:JQQ604 4.3 7.2 1.0
CB A:SER170 4.4 6.5 1.0
N A:SER224 4.4 6.3 0.5
N A:SER224 4.4 6.8 0.5
CA A:SER170 4.4 6.6 1.0
CA A:MET225 4.6 7.3 1.0
OE1 A:GLU233 4.7 7.5 1.0
C A:SER224 4.8 6.6 0.5
C A:SER224 4.8 7.0 0.5
O31 A:JQQ604 4.8 7.0 1.0
ND2 A:ASN168 4.8 7.3 1.0
N A:SER170 4.9 6.5 1.0
CG1 A:ILE227 4.9 8.5 1.0
N A:ILE227 4.9 7.1 1.0
N A:PRO226 4.9 6.6 1.0
CB A:SER223 5.0 6.9 1.0
CA A:SER224 5.0 5.9 0.5

Potassium binding site 2 out of 2 in 6r3g

Go back to Potassium Binding Sites List in 6r3g
Potassium binding site 2 out of 2 in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2)


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) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Alphafluoro-Cinnamic Acid (INT2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K603

b:7.7
occ:1.00
 O A:ARG421 2.7 7.7 1.0
O A:LEU461 2.7 9.0 1.0
O A:ASP459 2.7 7.7 1.0
OD2 A:ASP427 2.8 8.2 1.0
CG A:ASP427 3.4 8.4 1.0
C A:ASP459 3.7 7.1 1.0
C A:LEU461 3.8 7.8 1.0
C A:ARG421 3.8 7.1 1.0
CB A:ASP427 3.9 7.7 1.0
OD1 A:ASP427 4.1 9.4 1.0
CA A:CYS422 4.1 7.1 1.0
N A:LEU461 4.2 7.7 1.0
CA A:ALA460 4.3 7.0 1.0
C A:ALA460 4.4 7.1 1.0
N A:ALA460 4.4 6.7 1.0
N A:CYS422 4.4 6.7 1.0
CB A:ASP459 4.5 7.9 1.0
CG A:ASP459 4.5 9.1 1.0
N A:MET462 4.6 8.5 1.0
CA A:LEU461 4.6 7.6 1.0
CA A:MET462 4.7 7.9 1.0
N A:ARG423 4.7 6.7 1.0
OD1 A:ASP459 4.7 9.5 1.0
CA A:ASP459 4.8 7.1 1.0
OD2 A:ASP459 4.8 12.5 1.0
CA A:ARG421 4.9 6.8 1.0
CB A:CYS422 5.0 7.3 1.0

Reference:

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.
Page generated: Mon Aug 12 17:26:27 2024

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