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Ruthenium in PDB 2cfd: Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3)

Enzymatic activity of Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3)

All present enzymatic activity of Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3):
1.4.3.6;

Protein crystallography data

The structure of Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3), PDB code: 2cfd 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) 29.99 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 192.287, 62.857, 158.171, 90.00, 117.47, 90.00
R / Rfree (%) 19.4 / 21.3

Other elements in 2cfd:

The structure of Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3) also contains other interesting chemical elements:

Copper (Cu) 2 atoms
Sodium (Na) 2 atoms

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3) (pdb code 2cfd). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3), PDB code: 2cfd:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in 2cfd

Go back to Ruthenium Binding Sites List in 2cfd
Ruthenium binding site 1 out of 2 in the Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3)


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 WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru705

b:36.4
occ:0.70
RU A:R4A705 0.0 36.4 0.7
NCL A:R4A705 2.1 36.1 0.7
NBA A:R4A705 2.1 36.5 0.7
NBL A:R4A705 2.1 36.4 0.7
NCA A:R4A705 2.1 37.5 0.7
NAA A:R4A705 2.1 37.3 0.7
NAD A:R4A705 2.1 37.9 0.7
CBF A:R4A705 2.9 36.1 0.7
CCF A:R4A705 2.9 37.4 0.7
CAB A:R4A705 2.9 37.6 0.7
CBG A:R4A705 2.9 35.7 0.7
CAC A:R4A705 2.9 37.5 0.7
CCG A:R4A705 2.9 37.7 0.7
CCB A:R4A705 2.9 37.9 0.7
CBB A:R4A705 2.9 36.8 0.7
HBB A:R4A705 3.0 36.6 0.7
HCB A:R4A705 3.0 38.1 0.7
CCK A:R4A705 3.0 38.0 0.7
CBK A:R4A705 3.0 36.0 0.7
CAN A:R4A705 3.1 37.6 0.7
CAE A:R4A705 3.1 38.2 0.7
HCK A:R4A705 3.2 37.6 0.7
HBK A:R4A705 3.2 36.0 0.7
HAN A:R4A705 3.2 37.7 0.7
HAE A:R4A705 3.3 37.9 0.7
CBC A:R4A705 4.2 36.3 0.7
CCC A:R4A705 4.2 38.9 0.7
CBH A:R4A705 4.3 36.2 0.7
CCH A:R4A705 4.3 38.1 0.7
CCE A:R4A705 4.3 38.5 0.7
CBE A:R4A705 4.3 35.9 0.7
CAK A:R4A705 4.3 38.9 0.7
CCJ A:R4A705 4.3 38.1 0.7
CBJ A:R4A705 4.3 35.5 0.7
CAH A:R4A705 4.3 38.6 0.7
CAM A:R4A705 4.4 38.3 0.7
CAF A:R4A705 4.4 37.3 0.7
HD11 B:LEU358 4.6 26.8 1.0
HD1 A:TYR307 4.7 20.3 1.0
CBD A:R4A705 4.8 35.9 0.7
CCD A:R4A705 4.8 39.1 0.7
CBI A:R4A705 4.8 36.3 0.7
CCI A:R4A705 4.8 38.2 0.7
OE1 A:GLU102 4.8 37.3 1.0
CAG A:R4A705 4.9 37.7 0.7
CAL A:R4A705 4.9 39.2 0.7

Ruthenium binding site 2 out of 2 in 2cfd

Go back to Ruthenium Binding Sites List in 2cfd
Ruthenium binding site 2 out of 2 in the Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Agao in Complex with WC4L3 (Ru-Wire Inhibitor, 4-Carbon Linker, Lambda Enantiomer, Data Set 3) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ru705

b:33.3
occ:0.70
RU B:R4A705 0.0 33.3 0.7
NCL B:R4A705 2.1 33.2 0.7
NCA B:R4A705 2.1 33.9 0.7
NBL B:R4A705 2.1 31.9 0.7
NAD B:R4A705 2.1 33.6 0.7
NAA B:R4A705 2.1 30.7 0.7
NBA B:R4A705 2.1 34.2 0.7
CCF B:R4A705 2.9 34.2 0.7
CBF B:R4A705 2.9 32.8 0.7
CAB B:R4A705 2.9 32.0 0.7
CAC B:R4A705 2.9 32.0 0.7
CCB B:R4A705 2.9 33.8 0.7
CCG B:R4A705 2.9 34.6 0.7
CBG B:R4A705 2.9 31.4 0.7
CBB B:R4A705 3.0 34.5 0.7
HCB B:R4A705 3.0 33.9 0.7
HBB B:R4A705 3.0 34.2 0.7
CCK B:R4A705 3.1 35.8 0.7
CBK B:R4A705 3.1 30.8 0.7
CAN B:R4A705 3.1 32.5 0.7
CAE B:R4A705 3.1 33.8 0.7
HCK B:R4A705 3.2 35.4 0.7
HBK B:R4A705 3.2 31.0 0.7
HAN B:R4A705 3.2 32.1 0.7
HAE B:R4A705 3.3 33.9 0.7
CCC B:R4A705 4.2 34.1 0.7
CBC B:R4A705 4.2 33.5 0.7
CCH B:R4A705 4.3 36.4 0.7
CBH B:R4A705 4.3 31.4 0.7
CCE B:R4A705 4.3 34.7 0.7
CBE B:R4A705 4.3 31.8 0.7
CAK B:R4A705 4.3 32.3 0.7
CAH B:R4A705 4.3 32.8 0.7
CCJ B:R4A705 4.3 36.8 0.7
CBJ B:R4A705 4.4 30.2 0.7
CAF B:R4A705 4.4 34.4 0.7
CAM B:R4A705 4.4 32.5 0.7
OE1 B:GLU102 4.7 33.1 1.0
HD1 B:TYR307 4.8 15.2 1.0
CCD B:R4A705 4.8 35.6 0.7
CCI B:R4A705 4.8 37.2 0.7
CBD B:R4A705 4.8 32.9 0.7
CBI B:R4A705 4.8 31.8 0.7
CAG B:R4A705 4.9 33.2 0.7
CAL B:R4A705 4.9 33.2 0.7
HD11 A:LEU358 5.0 25.2 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: Wed Dec 16 02:07:55 2020

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