Atomistry » Mercury » PDB 1g52-1irk » 1if7
Atomistry »
  Mercury »
    PDB 1g52-1irk »
      1if7 »

Mercury in PDB 1if7: Carbonic Anhydrase II Complexed with (R)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide

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

All present enzymatic activity of Carbonic Anhydrase II Complexed with (R)-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 (R)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide, PDB code: 1if7 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 / 1.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.800, 41.800, 73.400, 90.00, 104.70, 90.00
R / Rfree (%) 21.4 / 29.4

Other elements in 1if7:

The structure of Carbonic Anhydrase II Complexed with (R)-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 (R)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide (pdb code 1if7). 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 (R)-N-(3-Indol-1-Yl-2-Methyl- Propyl)-4-Sulfamoyl-Benzamide, PDB code: 1if7:

Mercury binding site 1 out of 1 in 1if7

Go back to Mercury Binding Sites List in 1if7
Mercury binding site 1 out of 1 in the Carbonic Anhydrase II Complexed with (R)-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 (R)-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:25.5
occ:1.00
 SG A:CYS206 1.6 21.2 1.0
CB A:CYS206 3.0 13.4 1.0
O A:GLN137 3.0 12.9 1.0
C A:GLN137 3.3 15.6 1.0
N A:GLN137 3.5 16.3 1.0
O A:VAL135 3.5 20.0 1.0
O A:GLU205 3.5 14.4 1.0
CA A:CYS206 3.7 12.1 1.0
C A:GLN136 3.8 17.9 1.0
CA A:GLN137 3.9 19.1 1.0
C A:GLU205 3.9 11.1 1.0
N A:PRO138 3.9 16.0 1.0
O A:HOH320 3.9 26.1 1.0
C A:VAL135 4.0 19.0 1.0
N A:CYS206 4.0 10.3 1.0
CA A:GLN136 4.2 18.4 1.0
O A:GLN136 4.3 14.8 1.0
CA A:PRO138 4.3 13.9 1.0
N A:GLN136 4.3 18.4 1.0
O A:HOH344 4.5 15.8 1.0
N A:GLU205 4.7 6.3 1.0
CA A:VAL135 4.9 17.3 1.0
CB A:LEU204 4.9 10.1 1.0
CA A:GLU205 4.9 6.0 1.0
O A:ALA134 4.9 15.3 1.0
CD A:PRO138 5.0 15.4 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 00:02:43 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy