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Ruthenium in PDB 3m1j: The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug

Enzymatic activity of The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug

All present enzymatic activity of The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug, PDB code: 3m1j was solved by C.Temperini, L.Messori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.87 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.100, 41.550, 72.290, 90.00, 104.51, 90.00
R / Rfree (%) 19.3 / 23.5

Other elements in 3m1j:

The structure of The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug also contains other interesting chemical elements:

Mercury (Hg) 1 atom
Zinc (Zn) 1 atom

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug (pdb code 3m1j). 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 The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug, PDB code: 3m1j:

Ruthenium binding site 1 out of 1 in 3m1j

Go back to Ruthenium Binding Sites List in 3m1j
Ruthenium binding site 1 out of 1 in the The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of The Crystal Structure of A Nami A-Carbonic Anhydrase II Adduct Discloses the Mode of Action of This Novel Anticancer Metallodrug within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru300

b:46.3
occ:0.80
 ND1 A:HIS64 1.9 17.6 1.0
O A:HOH265 2.4 23.7 1.0
CE1 A:HIS64 2.8 17.6 1.0
O A:HOH263 2.9 33.0 1.0
CG A:HIS64 3.0 15.6 1.0
O A:ASN62 3.1 11.8 1.0
CB A:HIS64 3.5 14.0 1.0
N A:HIS64 3.7 12.6 1.0
O A:HOH363 3.8 28.8 1.0
C A:GLY63 3.9 12.5 1.0
CZ2 A:TRP5 3.9 14.7 1.0
NE2 A:HIS64 4.0 18.9 1.0
NZ A:LYS170 4.0 16.2 0.5
CD2 A:HIS64 4.1 17.6 1.0
C A:ASN62 4.1 11.8 1.0
CA A:HIS64 4.2 13.3 1.0
O A:GLY63 4.2 12.7 1.0
CH2 A:TRP5 4.3 14.5 1.0
CA A:GLY63 4.4 12.2 1.0
CE2 A:TRP5 4.4 14.3 1.0
OD1 A:ASN62 4.4 11.3 1.0
N A:GLY63 4.7 11.9 1.0
NE1 A:TRP5 4.8 13.7 1.0
CG A:ASN62 4.8 12.2 1.0
O A:HOH350 4.9 20.8 1.0
O A:TRP5 5.0 15.5 1.0

Reference:

A.Casini, C.Temperini, C.Gabbiani, C.T.Supuran, L.Messori. The X-Ray Structure of the Adduct Between Nami-A and Carbonic Anhydrase Provides Insights Into the Reactivity of This Metallodrug with Proteins Chemmedchem V. 5 1989 2010.
ISSN: ISSN 1860-7179
PubMed: 20931644
DOI: 10.1002/CMDC.201000331
Page generated: Tue Aug 19 00:50:59 2025

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