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Ruthenium in PDB 2cg0: Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A)

Enzymatic activity of Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A)

All present enzymatic activity of Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A):
1.4.3.6;

Protein crystallography data

The structure of Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A), PDB code: 2cg0 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) 20.02 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 157.793, 62.977, 91.934, 90.00, 112.21, 90.00
R / Rfree (%) 16.7 / 18.6

Other elements in 2cg0:

The structure of Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A) also contains other interesting chemical elements:

Copper (Cu) 1 atom
Sodium (Na) 1 atom

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A) (pdb code 2cg0). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total only one binding site of Ruthenium was determined in the Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A), PDB code: 2cg0:

Ruthenium binding site 1 out of 1 in 2cg0

Go back to Ruthenium Binding Sites List in 2cg0
Ruthenium binding site 1 out of 1 in the Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Agao in Complex with WC9A (Ru-Wire Inhibitor, 9-Carbon Linker, Data Set A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru705

b:79.7
occ:0.20
 RU A:R9A705 0.0 79.7 0.2
NCA A:R9A705 2.1 79.5 0.2
NBA A:R9A705 2.1 80.7 0.2
NBL A:R9A705 2.1 80.3 0.2
NAD A:R9A705 2.1 79.9 0.2
NAA A:R9A705 2.1 79.6 0.2
NCL A:R9A705 2.1 79.4 0.2
CCG A:R9A705 2.9 79.0 0.2
CBG A:R9A705 2.9 81.5 0.2
CBK A:R9A705 2.9 80.6 0.2
CAC A:R9A705 2.9 80.1 0.2
CAB A:R9A705 2.9 79.5 0.2
CCF A:R9A705 2.9 79.0 0.2
HBK A:R9A705 2.9 80.5 0.2
CBF A:R9A705 2.9 81.6 0.2
CCK A:R9A705 2.9 78.7 0.2
HCK A:R9A705 3.0 78.7 0.2
CBB A:R9A705 3.0 81.2 0.2
CCB A:R9A705 3.0 78.8 0.2
CAE A:R9A705 3.1 80.7 0.2
CAN A:R9A705 3.1 79.3 0.2
HBB A:R9A705 3.1 81.1 0.2
HCB A:R9A705 3.1 78.9 0.2
HAE A:R9A705 3.2 80.3 0.2
HAN A:R9A705 3.2 79.3 0.2
CBJ A:R9A705 4.2 80.7 0.2
CCJ A:R9A705 4.2 78.4 0.2
CCE A:R9A705 4.3 78.7 0.2
CBE A:R9A705 4.3 82.3 0.2
CCH A:R9A705 4.3 78.8 0.2
CBC A:R9A705 4.3 81.8 0.2
CCC A:R9A705 4.3 78.7 0.2
CBH A:R9A705 4.3 81.1 0.2
CAH A:R9A705 4.3 80.3 0.2
CAK A:R9A705 4.3 79.0 0.2
CAF A:R9A705 4.4 80.4 0.2
CAM A:R9A705 4.4 79.1 0.2
CCD A:R9A705 4.8 78.2 0.2
CBI A:R9A705 4.8 80.7 0.2
CCI A:R9A705 4.8 78.4 0.2
CBD A:R9A705 4.8 82.1 0.2
CAG A:R9A705 4.9 80.3 0.2
CA0 A:R9A705 4.9 77.8 0.2
HBJ A:R9A705 5.0 80.6 0.2

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: Thu Oct 10 12:45:31 2024

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