Manganese in PDB 6r32: Aspergillus Niger Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1')

Enzymatic activity of Aspergillus Niger Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1')

All present enzymatic activity of Aspergillus Niger Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1'):
4.1.1.102;

Protein crystallography data

The structure of Aspergillus Niger Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1'), PDB code: 6r32 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)*	64.70 / 1.21
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	95.808, 64.265, 87.726, 90.00, 90.00, 90.00
*R / R_free (%)*	13 / 15.9

Other elements in 6r32:

The structure of Aspergillus Niger Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1') also contains other interesting chemical elements:

Potassium

(K)

2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Aspergillus Niger Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1') (pdb code 6r32). 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 Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1'), PDB code: 6r32:

Manganese binding site 1 out of 1 in 6r32

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Manganese Binding Sites List in 6r32

Manganese binding site 1 out of 1 in the Aspergillus Niger Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1')

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Aspergillus Niger Ferrulic Acid Decarboxylase (Fdc) in Complex with the Covalent Adduct Formed Between Prfmn Cofactor and Phenylpropiolic Acid (INT1') within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn601 b:8.4 occ:1.00	OE2	A:GLU233	2.1	8.4	1.0
	OD1	A:ASN168	2.1	8.2	1.0
	O	A:HOH754	2.2	8.6	1.0
	O6	A:JQZ604	2.2	7.4	1.0
	O	A:HOH849	2.3	8.3	1.0
	ND1	A:HIS191	2.3	7.7	1.0
	CG	A:ASN168	3.1	7.8	1.0
	CE1	A:HIS191	3.2	7.9	1.0
	CD	A:GLU233	3.2	8.2	1.0
	CG	A:HIS191	3.4	7.5	1.0
	P1	A:JQZ604	3.4	7.6	1.0
	ND2	A:ASN168	3.5	8.8	1.0
	OE1	A:GLU233	3.5	8.0	1.0
	O4	A:JQZ604	3.6	7.7	1.0
	K	A:K602	3.7	9.9	1.0
	CB	A:HIS191	3.8	8.0	1.0
	O5	A:JQZ604	4.3	7.7	1.0
	O	A:ILE227	4.3	8.3	1.0
	CZ2	A:TRP166	4.4	9.9	1.0
	CG1	A:ILE227	4.4	9.2	1.0
	NE2	A:HIS191	4.4	8.7	1.0
	CB	A:ASN168	4.5	8.2	1.0
	CD2	A:HIS191	4.5	8.3	1.0
	O	A:VAL231	4.5	9.1	1.0
	CG	A:GLU233	4.5	7.4	1.0
	O3	A:JQZ604	4.5	7.7	1.0
	O	A:TRP169	4.6	7.9	1.0
	NE1	A:TRP166	4.6	9.1	1.0
	O	A:PRO228	4.7	8.7	1.0
	CE2	A:TRP166	4.9	9.3	1.0
	CA	A:ASN168	5.0	7.0	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 06:58:27 2024

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