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Mercury in PDB 3ffp: X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors

Enzymatic activity of X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors

All present enzymatic activity of X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors:
4.2.1.1;

Protein crystallography data

The structure of X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors, PDB code: 3ffp was solved by C.Temperini, L.Crocetti, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 11.83 / 1.81
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.180, 41.430, 72.240, 90.00, 104.47, 90.00
R / Rfree (%) 18.7 / 24

Other elements in 3ffp:

The structure of X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors (pdb code 3ffp). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors, PDB code: 3ffp:

Mercury binding site 1 out of 1 in 3ffp

Go back to Mercury Binding Sites List in 3ffp
Mercury binding site 1 out of 1 in the X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of X Ray Structure of the Complex Between Carbonic Anhydrase II and Lc Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Hg263

b:19.7
occ:1.00
SG X:CYS206 1.5 2.0 0.5
C4 X:BEZ301 2.2 19.6 1.0
CB X:CYS206 2.9 6.5 0.5
O X:GLN137 2.9 9.6 1.0
O X:GLU205 3.0 7.8 1.0
C5 X:BEZ301 3.1 21.7 1.0
C3 X:BEZ301 3.2 19.0 1.0
CB X:CYS206 3.2 9.6 0.5
CA X:CYS206 3.4 6.1 0.5
C X:GLN137 3.4 10.1 1.0
C X:GLU205 3.4 8.1 1.0
CA X:CYS206 3.4 8.4 0.5
N X:CYS206 3.7 7.7 1.0
N X:GLN137 3.7 10.3 1.0
N X:PRO138 3.9 10.1 1.0
O X:VAL135 4.0 13.5 1.0
O X:HOH342 4.0 20.2 1.0
C X:GLN136 4.0 11.9 1.0
CA X:GLN137 4.1 9.8 1.0
CA X:PRO138 4.1 9.4 1.0
N X:GLU205 4.2 6.8 1.0
CA X:GLU205 4.4 7.4 1.0
C X:VAL135 4.4 12.0 1.0
C6 X:BEZ301 4.5 20.6 1.0
O X:GLN136 4.5 11.6 1.0
C2 X:BEZ301 4.5 20.8 1.0
CA X:GLN136 4.6 12.4 1.0
SG X:CYS206 4.7 14.6 0.5
N X:GLN136 4.8 11.9 1.0
C X:CYS206 4.9 7.2 1.0
CD X:PRO138 4.9 10.3 1.0
C X:LEU204 4.9 6.8 1.0
O X:HOH413 4.9 26.1 1.0
CB X:GLU205 5.0 8.4 1.0
CB X:LEU204 5.0 5.9 1.0

Reference:

L.Crocetti, A.Maresca, C.Temperini, R.A.Hall, A.Scozzafava, F.A.Muhlschlegel, C.T.Supuran. A Thiabendazole Sulfonamide Shows Potent Inhibitory Activity Against Mammalian and Nematode Alpha-Carbonic Anhydrases Bioorg.Med.Chem.Lett. V. 19 1371 2009.
ISSN: ISSN 0960-894X
PubMed: 19186056
DOI: 10.1016/J.BMCL.2009.01.038
Page generated: Wed Oct 28 18:42:33 2020

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