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Mercury in PDB 3m1k: Carbonic Anhydrase in Complex with Fragment

Enzymatic activity of Carbonic Anhydrase in Complex with Fragment

All present enzymatic activity of Carbonic Anhydrase in Complex with Fragment:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase in Complex with Fragment, PDB code: 3m1k was solved by J.Schulze Wischeler, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.300, 41.400, 72.400, 90.00, 104.40, 90.00
R / Rfree (%) 12.8 / 18.6

Other elements in 3m1k:

The structure of Carbonic Anhydrase in Complex with Fragment also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase in Complex with Fragment (pdb code 3m1k). 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 in Complex with Fragment, PDB code: 3m1k:

Mercury binding site 1 out of 1 in 3m1k

Go back to Mercury Binding Sites List in 3m1k
Mercury binding site 1 out of 1 in the Carbonic Anhydrase in Complex with Fragment


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase in Complex with Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg503

b:15.4
occ:0.36
HG A:BE7503 0.0 15.4 0.4
O A:HOH1225 1.9 27.8 1.0
C5 A:BE7503 2.1 5.7 0.4
SG A:CYS206 2.3 16.6 0.4
C6 A:BE7503 3.0 14.2 0.4
O A:GLU205 3.0 11.2 1.0
O A:GLN137 3.1 10.9 1.0
C4 A:BE7503 3.1 10.8 0.4
CB A:CYS206 3.2 9.3 0.6
CB A:CYS206 3.3 9.3 0.4
O A:VAL135 3.3 15.9 1.0
C A:GLU205 3.4 8.8 1.0
C A:GLN137 3.4 9.9 1.0
CA A:CYS206 3.5 8.6 0.4
CA A:CYS206 3.5 8.4 0.6
N A:GLN137 3.6 11.4 1.0
N A:CYS206 3.6 8.4 1.0
O A:HOH1104 3.7 22.8 1.0
C A:GLN136 3.8 14.1 1.0
N A:PRO138 3.8 11.1 1.0
CA A:GLN137 4.0 9.8 1.0
CA A:PRO138 4.1 12.8 1.0
N A:GLU205 4.2 9.2 1.0
C A:VAL135 4.2 14.9 1.0
O A:GLN136 4.2 15.9 1.0
CA A:GLN136 4.3 13.4 1.0
CA A:GLU205 4.3 8.7 1.0
C7 A:BE7503 4.3 18.0 0.4
C3 A:BE7503 4.4 14.6 0.4
N A:GLN136 4.6 12.4 1.0
SG A:CYS206 4.6 9.5 0.6
CD A:PRO138 4.8 16.2 1.0
C A:LEU204 4.9 7.5 1.0
CB A:GLU205 4.9 9.9 1.0
C2 A:BE7503 4.9 11.1 0.4
C A:CYS206 4.9 9.1 1.0
CB A:LEU204 4.9 10.8 1.0

Reference:

J.Schulze Wischeler, A.Innocenti, D.Vullo, A.Agrawal, S.M.Cohen, A.Heine, C.T.Supuran, G.Klebe. Bidentate Zinc Chelators For Alpha-Carbonic Anhydrases That Produce A Trigonal Bipyramidal Coordination Geometry. Chemmedchem V. 5 1609 2010.
ISSN: ISSN 1860-7179
PubMed: 20629007
DOI: 10.1002/CMDC.201000200
Page generated: Wed Oct 28 18:42:51 2020

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