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Ruthenium in PDB 3p44: Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide, PDB code: 3p44 was solved by A.J.Salmon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.73 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.500, 41.590, 72.290, 90.00, 104.64, 90.00
R / Rfree (%) 18.3 / 23.3

Other elements in 3p44:

The structure of Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide (pdb code 3p44). 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 Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide, PDB code: 3p44:

Ruthenium binding site 1 out of 1 in 3p44

Go back to Ruthenium Binding Sites List in 3p44
Ruthenium binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Human Carbonic Anhydrase II in Complex with P-(4-Ruthenocenyl-1H-1,2, 3-Triazol-1-Yl)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru300

b:67.9
occ:1.00
 RU A:067300 0.0 67.9 1.0
CAR A:067300 2.3 66.0 1.0
CAQ A:067300 2.3 63.5 1.0
CAT A:067300 2.3 64.0 1.0
CAW A:067300 2.3 69.2 1.0
CAS A:067300 2.3 65.7 1.0
CAP A:067300 2.3 60.2 1.0
CAV A:067300 2.3 68.8 1.0
CAY A:067300 2.3 69.0 1.0
CAX A:067300 2.3 67.6 1.0
CAU A:067300 2.3 71.3 1.0
CAF A:067300 3.2 55.7 1.0
CAL A:067300 3.9 49.9 1.0
NAA A:067300 4.1 54.7 1.0
CE2 A:PHE130 4.7 22.8 1.0
NAG A:067300 4.9 40.7 1.0
NAB A:067300 5.0 49.6 1.0

Reference:

A.J.Salmon, M.L.Williams, A.Hofmann, S.A.Poulsen. Protein Crystal Structures with Ferrocene and Ruthenocene-Based Enzyme Inhibitors. Chem.Commun.(Camb.) V. 48 2328 2012.
ISSN: ISSN 1359-7345
PubMed: 22258283
DOI: 10.1039/C2CC15625C
Page generated: Thu Oct 10 12:49:22 2024

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