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Iron in PDB 3p3h: Human Carbonic Anhydrase II in Complex with P-(5-Ferrocenyl-1H-1,2,3- Triazol-1-Yl)Benzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with P-(5-Ferrocenyl-1H-1,2,3- Triazol-1-Yl)Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with P-(5-Ferrocenyl-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-(5-Ferrocenyl-1H-1,2,3- Triazol-1-Yl)Benzenesulfonamide, PDB code: 3p3h 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) 22.92 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.456, 41.574, 72.226, 90.00, 104.81, 90.00
R / Rfree (%) 17.6 / 20.1

Other elements in 3p3h:

The structure of Human Carbonic Anhydrase II in Complex with P-(5-Ferrocenyl-1H-1,2,3- Triazol-1-Yl)Benzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Human Carbonic Anhydrase II in Complex with P-(5-Ferrocenyl-1H-1,2,3- Triazol-1-Yl)Benzenesulfonamide (pdb code 3p3h). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Human Carbonic Anhydrase II in Complex with P-(5-Ferrocenyl-1H-1,2,3- Triazol-1-Yl)Benzenesulfonamide, PDB code: 3p3h:

Iron binding site 1 out of 1 in 3p3h

Go back to Iron Binding Sites List in 3p3h
Iron binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with P-(5-Ferrocenyl-1H-1,2,3- Triazol-1-Yl)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Carbonic Anhydrase II in Complex with P-(5-Ferrocenyl-1H-1,2,3- Triazol-1-Yl)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:17.3
occ:1.00
 FE1 A:84A300 0.0 17.3 1.0
C20 A:84A300 1.9 13.4 1.0
C21 A:84A300 2.0 16.5 0.0
C16 A:84A300 2.1 17.4 1.0
C15 A:84A300 2.1 16.5 0.0
C19 A:84A300 2.1 15.7 1.0
C17 A:84A300 2.1 19.6 1.0
C22 A:84A300 2.1 20.1 1.0
C14 A:84A300 2.1 18.6 1.0
C18 A:84A300 2.2 19.6 1.0
C23 A:84A300 2.2 20.1 1.0
C12 A:84A300 3.1 15.0 1.0
C13 A:84A300 3.7 18.6 1.0
CD A:PRO201 3.9 3.2 1.0
N11 A:84A300 4.2 12.2 1.0
CD1 A:LEU197 4.5 3.5 1.0
CG A:PRO201 4.7 3.7 1.0
O A:PRO200 4.7 2.9 1.0
C6 A:84A300 4.7 9.1 1.0
N14 A:84A300 4.9 20.5 1.0
CE2 A:PHE130 4.9 6.5 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: Sun Dec 13 15:16:21 2020

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