Manganese in PDB 6r3i: Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Pentafluorocinnamic Acid (INT2)

Enzymatic activity of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) E282Q Variant in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Pentafluorocinnamic 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 Pentafluorocinnamic 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 Pentafluorocinnamic Acid (INT2), PDB code: 6r3i 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)*	64.73 / 1.14
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	96.196, 64.079, 87.508, 90.00, 90.00, 90.00
*R / R_free (%)*	12.5 / 14.6

Other elements in 6r3i:

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

Fluorine	(F)	5 atoms
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 Pentafluorocinnamic Acid (INT2) (pdb code 6r3i). 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 Pentafluorocinnamic Acid (INT2), PDB code: 6r3i:

Manganese binding site 1 out of 1 in 6r3i

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Manganese Binding Sites List in 6r3i

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 Pentafluorocinnamic 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 Pentafluorocinnamic Acid (INT2) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn601 b:6.7 occ:1.00	OE2	A:GLU233	2.1	6.9	1.0
	OD1	A:ASN168	2.1	6.6	1.0
	O31	A:JRN604	2.2	6.0	1.0
	O	A:HOH723	2.2	7.2	1.0
	O	A:HOH800	2.3	7.3	1.0
	ND1	A:HIS191	2.3	6.7	1.0
	CG	A:ASN168	3.1	6.5	1.0
	CD	A:GLU233	3.2	6.5	1.0
	CE1	A:HIS191	3.2	7.2	1.0
	CG	A:HIS191	3.4	6.6	1.0
	P29	A:JRN604	3.4	6.2	1.0
	ND2	A:ASN168	3.5	7.2	1.0
	OE1	A:GLU233	3.5	6.9	1.0
	O30	A:JRN604	3.6	7.4	1.0
	K	A:K602	3.7	7.0	1.0
	CB	A:HIS191	3.8	6.9	1.0
	O32	A:JRN604	4.3	7.0	1.0
	CZ2	A:TRP166	4.3	8.8	1.0
	O	A:ILE227	4.3	7.0	1.0
	CG1	A:ILE227	4.4	8.9	1.0
	NE2	A:HIS191	4.4	7.7	1.0
	O	A:VAL231	4.5	8.2	1.0
	CG	A:GLU233	4.5	7.2	1.0
	CD2	A:HIS191	4.5	7.3	1.0
	O28	A:JRN604	4.5	6.5	1.0
	CB	A:ASN168	4.5	6.7	1.0
	O	A:TRP169	4.6	6.5	1.0
	NE1	A:TRP166	4.6	8.8	1.0
	O	A:PRO228	4.7	8.0	1.0
	CE2	A:TRP166	4.9	8.0	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 06:58:58 2024

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