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Manganese in PDB 6r3f: Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and 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 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 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 Cinnamic Acid (INT2), PDB code: 6r3f 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) 87.65 / 1.25
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.119, 64.137, 87.654, 90.00, 90.00, 90.00
R / Rfree (%) 13.5 / 17

Other elements in 6r3f:

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

Potassium (K) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Cinnamic Acid (INT2) (pdb code 6r3f). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Cinnamic Acid (INT2), PDB code: 6r3f:

Manganese binding site 1 out of 1 in 6r3f

Go back to Manganese Binding Sites List in 6r3f
Manganese binding site 1 out of 1 in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Cinnamic Acid (INT2)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Cinnamic Acid (INT2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn601

b:8.1
occ:1.00
 OE2 A:GLU233 2.1 8.0 1.0
OD1 A:ASN168 2.1 7.2 1.0
O6 A:JQK604 2.2 6.7 1.0
O A:HOH716 2.2 7.3 1.0
O A:HOH823 2.2 7.6 1.0
ND1 A:HIS191 2.3 7.2 1.0
CG A:ASN168 3.1 6.8 1.0
CE1 A:HIS191 3.2 7.0 1.0
CD A:GLU233 3.2 7.8 1.0
CG A:HIS191 3.4 6.7 1.0
P1 A:JQK604 3.4 6.9 1.0
ND2 A:ASN168 3.5 7.7 1.0
OE1 A:GLU233 3.5 7.8 1.0
O4 A:JQK604 3.5 7.5 1.0
K A:K602 3.7 7.8 1.0
CB A:HIS191 3.8 7.6 1.0
O5 A:JQK604 4.3 7.5 1.0
O A:ILE227 4.3 7.5 1.0
CZ2 A:TRP166 4.4 8.7 1.0
CG1 A:ILE227 4.4 9.6 1.0
NE2 A:HIS191 4.4 7.7 1.0
CG A:GLU233 4.5 6.7 1.0
O A:VAL231 4.5 8.8 1.0
CD2 A:HIS191 4.5 7.8 1.0
CB A:ASN168 4.5 6.9 1.0
O3 A:JQK604 4.5 7.5 1.0
O A:TRP169 4.6 7.7 1.0
NE1 A:TRP166 4.6 9.6 1.0
O A:PRO228 4.7 8.7 1.0
CE2 A:TRP166 4.9 8.9 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: Sun Oct 6 06:58:57 2024

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