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Sodium in PDB 2cg1: Agao in Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B)

Enzymatic activity of Agao in Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B)

All present enzymatic activity of Agao in Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B):
1.4.3.6;

Protein crystallography data

The structure of Agao in Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B), PDB code: 2cg1 was solved by D.B.Langley, A.P.Duff, H.C.Freeman, J.M.Guss, G.A.Juda, D.M.Dooley, S.M.Contakes, N.W.Halpern-Manners, A.R.Dunn, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.99 / 1.67
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 157.919, 63.042, 92.067, 90.00, 112.19, 90.00
R / Rfree (%) 16 / 17.9

Other elements in 2cg1:

The structure of Agao in Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B) also contains other interesting chemical elements:

Ruthenium (Ru) 1 atom
Copper (Cu) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Agao in Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B) (pdb code 2cg1). 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 Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B), PDB code: 2cg1:

Sodium binding site 1 out of 1 in 2cg1

Go back to Sodium Binding Sites List in 2cg1
Sodium binding site 1 out of 1 in the Agao in Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Agao in Complex with WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1630

b:26.1
occ:1.00
 O A:MET441 2.4 15.9 1.0
OD1 A:ASP581 2.4 17.0 1.0
OD1 A:ASP440 2.4 16.4 1.0
O A:ILE582 2.4 14.7 1.0
O A:HOH2301 2.7 24.3 1.0
H A:ILE582 2.9 14.3 1.0
HD1 A:PHE446 3.1 19.4 1.0
H A:MET441 3.2 15.1 1.0
N A:ILE582 3.2 14.3 1.0
N A:MET441 3.4 15.1 1.0
C A:MET441 3.4 14.7 1.0
C A:ILE582 3.4 15.7 1.0
HH21 A:ARG49 3.5 25.2 1.0
HA A:ASP581 3.5 16.2 1.0
CG A:ASP581 3.6 20.4 1.0
CG A:ASP440 3.6 17.4 1.0
C A:ASP581 3.8 14.8 1.0
C A:ASP440 3.8 15.0 1.0
HB2 A:MET441 3.9 15.1 1.0
CA A:MET441 3.9 14.9 1.0
HA A:ASP440 3.9 15.2 1.0
CA A:ILE582 3.9 13.9 1.0
CD1 A:PHE446 4.0 19.0 1.0
HE1 A:PHE446 4.0 21.6 1.0
HB2 A:TYR546 4.0 17.0 1.0
HH22 A:ARG49 4.0 25.2 1.0
CA A:ASP581 4.1 16.5 1.0
HG21 A:VAL583 4.1 16.4 1.0
NH2 A:ARG49 4.1 22.9 1.0
CA A:ASP440 4.3 15.3 1.0
CE1 A:PHE446 4.4 21.6 1.0
OD2 A:ASP440 4.4 17.0 1.0
CB A:MET441 4.4 14.8 1.0
CB A:ASP581 4.4 18.0 1.0
O A:ASP440 4.5 16.0 1.0
OD2 A:ASP581 4.5 22.2 1.0
HA A:ILE582 4.5 14.3 1.0
HG12 A:ILE582 4.5 17.4 1.0
HA A:PHE446 4.5 16.5 1.0
HA A:ALA442 4.6 14.6 1.0
CB A:ASP440 4.6 15.8 1.0
N A:VAL583 4.6 14.9 1.0
HA A:VAL583 4.6 14.6 1.0
N A:ALA442 4.6 14.5 1.0
HG13 A:ILE582 4.6 17.4 1.0
HB2 A:ALA442 4.6 14.6 1.0
O A:ASP581 4.7 15.7 1.0
HG22 A:VAL583 4.7 16.4 1.0
HB3 A:ASN273 4.8 16.1 1.0
HA A:MET441 4.8 14.9 1.0
CG2 A:VAL583 4.8 17.1 1.0
O A:PHE446 4.9 18.2 1.0
CB A:TYR546 4.9 16.5 1.0
HB3 A:PHE446 4.9 16.6 1.0
CG1 A:ILE582 4.9 17.0 1.0
HB3 A:TYR546 5.0 17.0 1.0
OD1 A:ASN448 5.0 15.7 1.0

Reference:

D.B.Langley, D.E.Brown, L.E.Cheruzel, S.M.Contakes, A.P.Duff, K.M.Hilmer, D.M.Dooley, H.B.Gray, J.M.Guss, H.C.Freeman. Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires By the Amine Oxidase of Arthrobacter Globiformis. J.Am.Chem.Soc. V. 130 8069 2008.
ISSN: ISSN 0002-7863
PubMed: 18507382
DOI: 10.1021/JA801289F
Page generated: Tue Dec 15 05:46:56 2020

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