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Zinc in PDB 3rj7: Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide

Enzymatic activity of Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide, PDB code: 3rj7 was solved by B.Spingler, D.Can, R.Alberto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.76 / 1.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.243, 41.639, 72.107, 90.00, 104.55, 90.00
R / Rfree (%) 16.6 / 19

Other elements in 3rj7:

The structure of Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide also contains other interesting chemical elements:

Rhenium (Re) 4 atoms
Mercury (Hg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide (pdb code 3rj7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide, PDB code: 3rj7:

Zinc binding site 1 out of 1 in 3rj7

Go back to Zinc Binding Sites List in 3rj7
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II Complexed with Its Inhibitor Rhenium(I) Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene- Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn300

b:5.2
occ:1.00
 N2 A:RCS302 2.0 5.7 1.0
NE2 A:HIS94 2.0 5.6 1.0
ND1 A:HIS119 2.0 4.6 1.0
NE2 A:HIS96 2.0 5.5 1.0
CE1 A:HIS119 2.9 5.4 1.0
O5 A:RCS302 3.0 6.3 1.0
CD2 A:HIS94 3.0 5.6 1.0
S1 A:RCS302 3.0 6.1 1.0
CD2 A:HIS96 3.0 6.1 1.0
CE1 A:HIS96 3.0 6.4 1.0
CE1 A:HIS94 3.0 5.2 1.0
CG A:HIS119 3.1 4.6 1.0
CB A:HIS119 3.5 5.2 1.0
O A:HOH432 3.6 16.3 1.0
OG1 A:THR199 3.9 6.0 1.0
OE1 A:GLU106 3.9 5.6 1.0
O6 A:RCS302 4.1 6.3 1.0
NE2 A:HIS119 4.1 5.1 1.0
CG A:HIS94 4.1 5.2 1.0
ND1 A:HIS96 4.2 7.0 1.0
ND1 A:HIS94 4.2 5.6 1.0
C14 A:RCS302 4.2 7.7 1.0
CG A:HIS96 4.2 6.0 1.0
CD2 A:HIS119 4.2 5.1 1.0
C15 A:RCS302 4.9 11.2 1.0
CD A:GLU106 4.9 6.8 1.0
C13 A:RCS302 5.0 11.2 1.0

Reference:

D.Can, B.Spingler, P.Schmutz, F.Mendes, P.Raposinho, C.Fernandes, F.Carta, A.Innocenti, I.Santos, C.T.Supuran, R.Alberto. [(Cp-R)M(Co)(3) ] (M=Re or (99M) Tc) Arylsulfonamide, Arylsulfamide, and Arylsulfamate Conjugates For Selective Targeting of Human Carbonic Anhydrase IX. Angew.Chem.Int.Ed.Engl. V. 51 3354 2012.
ISSN: ISSN 1433-7851
PubMed: 22344779
DOI: 10.1002/ANIE.201107333
Page generated: Sat Oct 26 14:49:56 2024

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