Sodium in PDB 1sih: Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine")

Enzymatic activity of Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine")

All present enzymatic activity of Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine"):
1.4.3.6;

Protein crystallography data

The structure of Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine"), PDB code: 1sih was solved by J.M.Guss, D.B.Langley, A.P.Duff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	22.81 / 1.73
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	157.645, 62.787, 91.657, 90.00, 112.18, 90.00
*R / R_free (%)*	14.9 / 16.8

Other elements in 1sih:

The structure of Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine") also contains other interesting chemical elements:

Copper

(Cu)

1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine") (pdb code 1sih). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine"), PDB code: 1sih:

Sodium binding site 1 out of 1 in 1sih

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Sodium Binding Sites List in 1sih

Sodium binding site 1 out of 1 in the Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine")

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Agao in Covalent Complex with the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine") within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na703 b:25.0 occ:1.00	O	A:MET441	2.3	15.6	1.0
	OD1	A:ASP440	2.4	15.8	1.0
	OD1	A:ASP581	2.4	16.8	1.0
	O	A:ILE582	2.4	13.8	1.0
	O	A:HOH1208	2.6	23.2	1.0
	H	A:ILE582	2.9	14.1	1.0
	HD1	A:PHE446	3.1	19.2	1.0
	H	A:MET441	3.2	15.8	1.0
	N	A:ILE582	3.2	13.7	1.0
	N	A:MET441	3.4	16.3	1.0
	C	A:MET441	3.4	12.0	1.0
	C	A:ILE582	3.4	15.1	1.0
	HH21	A:ARG49	3.5	22.4	1.0
	HA	A:ASP581	3.5	16.4	1.0
	CG	A:ASP581	3.6	22.2	1.0
	CG	A:ASP440	3.6	19.9	1.0
	C	A:ASP581	3.8	14.8	1.0
	C	A:ASP440	3.8	15.2	1.0
	HA	A:ASP440	3.9	14.9	1.0
	CA	A:ILE582	3.9	14.0	1.0
	CA	A:MET441	3.9	15.2	1.0
	HB2	A:MET441	3.9	15.2	1.0
	CD1	A:PHE446	4.0	19.7	1.0
	HH22	A:ARG49	4.0	22.4	1.0
	HG21	A:VAL583	4.0	16.1	1.0
	CA	A:ASP581	4.0	16.5	1.0
	HE1	A:PHE446	4.1	21.4	1.0
	HB2	A:TYR546	4.1	16.6	1.0
	NH2	A:ARG49	4.1	17.8	1.0
	CA	A:ASP440	4.2	14.7	1.0
	OD2	A:ASP440	4.4	17.2	1.0
	CB	A:ASP581	4.4	18.2	1.0
	CE1	A:PHE446	4.5	19.1	1.0
	O	A:ASP440	4.5	14.8	1.0
	CB	A:MET441	4.5	15.0	1.0
	HG12	A:ILE582	4.5	18.2	1.0
	OD2	A:ASP581	4.5	21.8	1.0
	HA	A:ILE582	4.5	14.3	1.0
	HA	A:PHE446	4.5	17.1	1.0
	HA	A:ALA442	4.5	15.1	1.0
	CB	A:ASP440	4.5	16.3	1.0
	HG13	A:ILE582	4.6	18.2	1.0
	N	A:VAL583	4.6	14.5	1.0
	HB1	A:ALA442	4.6	15.2	1.0
	N	A:ALA442	4.6	13.4	1.0
	HA	A:VAL583	4.6	13.2	1.0
	O	A:ASP581	4.6	14.5	1.0
	HB3	A:ASN273	4.8	15.8	1.0
	HA	A:MET441	4.8	14.8	1.0
	HG23	A:VAL583	4.8	16.1	1.0
	O	A:PHE446	4.8	19.1	1.0
	CG2	A:VAL583	4.8	17.2	1.0
	CG1	A:ILE582	4.9	18.0	1.0
	HB3	A:PHE446	4.9	17.1	1.0
	CB	A:TYR546	4.9	16.2	1.0
	HB2	A:ASN273	5.0	15.8	1.0
	OD1	A:ASN448	5.0	15.2	1.0

Reference:

K.M.O'connell, D.B.Langley, E.M.Shepard, A.P.Duff, H.B.Jeon, G.Sun, H.C.Freeman, J.M.Guss, L.M.Sayre, D.M.Dooley. Differential Inhibition of Six Copper Amine Oxidases By A Family of 4-(Aryloxy)-2-Butynamines: Evidence For A New Mode of Inactivation. Biochemistry V. 43 10965 2004.
ISSN: ISSN 0006-2960
PubMed: 15323556
DOI: 10.1021/BI0492004

Page generated: Sun Oct 6 22:25:04 2024

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