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Sodium in PDB 1sii: Agao in Covalent Complex with the Inhibitor Noba ("4-(2-Naphthyloxy)- 2-Butyn-1-Amine")

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

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

Protein crystallography data

The structure of Agao in Covalent Complex with the Inhibitor Noba ("4-(2-Naphthyloxy)- 2-Butyn-1-Amine"), PDB code: 1sii 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) 19.88 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 158.060, 62.619, 91.990, 90.00, 112.11, 90.00
R / Rfree (%) 15.7 / 18.3

Other elements in 1sii:

The structure of Agao in Covalent Complex with the Inhibitor Noba ("4-(2-Naphthyloxy)- 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 Noba ("4-(2-Naphthyloxy)- 2-Butyn-1-Amine") (pdb code 1sii). 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 Noba ("4-(2-Naphthyloxy)- 2-Butyn-1-Amine"), PDB code: 1sii:

Sodium binding site 1 out of 1 in 1sii

Go back to Sodium Binding Sites List in 1sii
Sodium binding site 1 out of 1 in the Agao in Covalent Complex with the Inhibitor Noba ("4-(2-Naphthyloxy)- 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 Noba ("4-(2-Naphthyloxy)- 2-Butyn-1-Amine") within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1000

b:28.7
occ:1.00
 O A:MET441 2.4 15.8 1.0
OD1 A:ASP440 2.5 20.6 1.0
OD1 A:ASP581 2.5 21.8 1.0
O A:ILE582 2.6 13.8 1.0
O A:HOH1234 2.8 21.4 1.0
H A:ILE582 3.0 16.7 1.0
HD1 A:PHE446 3.1 21.2 1.0
H A:MET441 3.2 14.0 1.0
N A:ILE582 3.3 17.2 1.0
N A:MET441 3.3 14.2 1.0
HH21 A:ARG49 3.4 26.5 1.0
C A:MET441 3.4 13.3 1.0
C A:ILE582 3.5 12.4 1.0
HA A:ASP581 3.6 21.5 1.0
CG A:ASP440 3.7 21.2 1.0
CG A:ASP581 3.8 24.1 1.0
C A:ASP440 3.8 14.4 1.0
HA A:ASP440 3.9 14.9 1.0
CA A:MET441 3.9 13.3 1.0
C A:ASP581 3.9 19.5 1.0
HE1 A:PHE446 3.9 23.1 1.0
HH22 A:ARG49 3.9 26.5 1.0
HB2 A:MET441 3.9 14.4 1.0
CD1 A:PHE446 3.9 22.5 1.0
NH2 A:ARG49 3.9 23.7 1.0
CA A:ILE582 4.0 12.8 1.0
HG21 A:VAL583 4.0 15.2 1.0
HB2 A:TYR546 4.1 18.1 1.0
CA A:ASP581 4.1 22.2 1.0
CA A:ASP440 4.2 15.3 1.0
CE1 A:PHE446 4.3 19.9 1.0
O A:ASP440 4.4 14.2 1.0
CB A:MET441 4.4 15.1 1.0
OD2 A:ASP440 4.5 18.6 1.0
CB A:ASP581 4.5 23.4 1.0
HA A:PHE446 4.5 16.1 1.0
HA A:ILE582 4.6 13.6 1.0
CB A:ASP440 4.6 14.2 1.0
HA A:VAL583 4.6 13.4 1.0
HA A:ALA442 4.6 14.4 1.0
OD2 A:ASP581 4.6 30.1 1.0
N A:ALA442 4.6 12.9 1.0
HB1 A:ALA442 4.6 14.6 1.0
N A:VAL583 4.7 14.0 1.0
HG23 A:VAL583 4.7 15.2 1.0
HG13 A:ILE582 4.7 16.5 1.0
HB3 A:ASN273 4.7 14.5 1.0
O A:ASP581 4.7 15.6 1.0
HG12 A:ILE582 4.7 16.5 1.0
HA A:MET441 4.7 13.8 1.0
CG2 A:VAL583 4.8 16.4 1.0
HB3 A:PHE446 4.9 15.9 1.0
CB A:TYR546 4.9 16.1 1.0
O A:PHE446 5.0 17.9 1.0
HB2 A:ASN273 5.0 14.5 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 22:25:16 2024

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