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Mercury in PDB 1if8: Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide

Enzymatic activity of Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide

All present enzymatic activity of Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide, PDB code: 1if8 was solved by B.A.Grzybowski, A.V.Ishchenko, C.-Y.Kim, G.Topalov, R.Chapman, D.W.Christianson, G.M.Whitesides, E.I.Shakhnovich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.200, 42.300, 73.900, 90.00, 104.70, 90.00
R / Rfree (%) 22 / 29.3

Other elements in 1if8:

The structure of Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide (pdb code 1if8). 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 Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide, PDB code: 1if8:

Mercury binding site 1 out of 1 in 1if8

Go back to Mercury Binding Sites List in 1if8
Mercury binding site 1 out of 1 in the Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase II Complexed with (S)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg263

b:20.6
occ:1.00
 SG A:CYS206 1.6 22.4 1.0
CB A:CYS206 2.9 15.9 1.0
O A:GLN137 3.2 16.6 1.0
CA A:CYS206 3.4 13.9 1.0
O A:GLU205 3.5 14.7 1.0
N A:CYS206 3.5 10.6 1.0
C A:GLU205 3.5 12.4 1.0
O A:VAL135 3.5 20.0 1.0
C A:GLN137 3.7 16.6 1.0
O A:HOH282 3.9 24.2 1.0
N A:GLN137 3.9 15.9 1.0
C A:VAL135 4.1 16.7 1.0
C A:GLN136 4.1 15.8 1.0
O A:HOH266 4.2 37.6 1.0
N A:GLU205 4.2 7.8 1.0
CA A:GLN137 4.4 17.7 1.0
CA A:GLU205 4.4 10.8 1.0
CA A:GLN136 4.5 17.1 1.0
N A:PRO138 4.5 16.6 1.0
CB A:LEU204 4.5 12.9 1.0
N A:GLN136 4.5 15.9 1.0
O A:GLN136 4.6 13.9 1.0
C A:LEU204 4.7 10.2 1.0
O A:HOH276 4.7 17.2 1.0
CA A:PRO138 4.8 15.4 1.0
C A:CYS206 4.9 11.8 1.0
CA A:VAL135 4.9 16.2 1.0

Reference:

B.A.Grzybowski, A.V.Ishchenko, C.Y.Kim, G.Topalov, R.Chapman, D.W.Christianson, G.M.Whitesides, E.I.Shakhnovich. Combinatorial Computational Method Gives New Picomolar Ligands For A Known Enzyme. Proc.Natl.Acad.Sci.Usa V. 99 1270 2002.
ISSN: ISSN 0027-8424
PubMed: 11818565
DOI: 10.1073/PNAS.032673399
Page generated: Sun Aug 11 00:02:48 2024

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