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Mercury in PDB 1czm: Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I

Enzymatic activity of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I

All present enzymatic activity of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I:
4.2.1.1;

Protein crystallography data

The structure of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I, PDB code: 1czm was solved by S.Chakravarty, K.K.Kannan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.850, 75.310, 37.760, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1czm:

The structure of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I (pdb code 1czm). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 5 binding sites of Mercury where determined in the Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I, PDB code: 1czm:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in 1czm

Go back to Mercury Binding Sites List in 1czm
Mercury binding site 1 out of 5 in the Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg264

b:18.1
occ:0.37
 O A:HOH472 2.3 13.9 0.8
O A:HOH456 3.0 8.2 1.0
HG A:HG266 3.3 13.3 0.3
HG A:HG267 3.5 14.4 0.4
CD2 A:LEU189 3.7 23.2 1.0
O A:HOH415 3.8 17.9 0.5
O A:SER188 3.8 21.7 1.0
O A:HOH270 3.8 26.8 1.0
CA A:LEU189 3.8 20.6 1.0
CG2 A:ILE47 4.1 22.3 1.0
CB A:LEU189 4.3 22.8 1.0
CB A:ILE47 4.3 19.9 1.0
O A:LEU189 4.5 20.9 1.0
C A:LEU189 4.5 19.6 1.0
CG A:LEU189 4.5 24.7 1.0
C A:SER188 4.6 21.7 1.0
O A:ILE47 4.7 16.5 1.0
N A:LEU189 4.7 21.1 1.0
O A:HOH466 5.0 16.8 0.8

Mercury binding site 2 out of 5 in 1czm

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Mercury binding site 2 out of 5 in the Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg265

b:19.2
occ:0.27
 O A:HOH270 2.9 26.8 1.0
O A:PRO186 3.3 20.2 1.0
O A:LEU185 3.6 13.5 1.0
O A:SER182 3.6 13.7 1.0
CB A:LEU185 3.9 15.7 1.0
C A:LEU185 4.1 14.7 1.0
C A:PRO186 4.3 19.0 1.0
O A:SER187 4.5 23.5 1.0
CA A:LEU185 4.5 13.9 1.0
C A:SER182 4.8 13.3 1.0
CA A:SER187 4.8 22.0 1.0
N A:PRO186 4.8 15.3 1.0
N A:SER187 5.0 20.4 1.0

Mercury binding site 3 out of 5 in 1czm

Go back to Mercury Binding Sites List in 1czm
Mercury binding site 3 out of 5 in the Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg266

b:13.3
occ:0.34
 O A:HOH456 1.6 8.2 1.0
HG A:HG267 1.6 14.4 0.4
O A:HOH466 1.9 16.8 0.8
O A:HOH472 2.3 13.9 0.8
SG A:CYS212 2.9 22.1 1.0
CB A:CYS212 3.2 14.8 1.0
HG A:HG264 3.3 18.1 0.4
CA A:CYS212 3.7 11.2 1.0
O A:SER188 4.3 21.7 1.0
O A:ASP190 4.3 15.0 1.0
N A:CYS212 4.5 9.8 1.0
CG2 A:ILE144 4.6 4.8 1.0
CB A:PHE191 4.8 9.5 1.0
CG2 A:ILE210 4.9 5.2 1.0

Mercury binding site 4 out of 5 in 1czm

Go back to Mercury Binding Sites List in 1czm
Mercury binding site 4 out of 5 in the Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg267

b:14.4
occ:0.39
 HG A:HG266 1.6 13.3 0.3
O A:HOH456 1.9 8.2 1.0
O A:HOH472 2.3 13.9 0.8
SG A:CYS212 2.3 22.1 1.0
O A:HOH466 3.0 16.8 0.8
O A:ASP190 3.1 15.0 1.0
O A:SER188 3.2 21.7 1.0
CB A:CYS212 3.3 14.8 1.0
HG A:HG264 3.5 18.1 0.4
CA A:CYS212 3.6 11.2 1.0
C A:LEU189 4.1 19.6 1.0
C A:ASP190 4.1 14.7 1.0
C A:SER188 4.1 21.7 1.0
CA A:LEU189 4.2 20.6 1.0
N A:ASP190 4.2 18.6 1.0
O A:LEU189 4.4 20.9 1.0
N A:LYS213 4.4 10.6 1.0
CB A:PHE191 4.5 9.5 1.0
C A:CYS212 4.5 11.1 1.0
N A:LEU189 4.5 21.1 1.0
N A:CYS212 4.7 9.8 1.0
CB A:SER188 4.8 21.6 1.0
CA A:ASP190 4.8 17.1 1.0
CG A:PRO186 4.9 15.0 1.0
N A:PHE191 5.0 12.8 1.0

Mercury binding site 5 out of 5 in 1czm

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Mercury binding site 5 out of 5 in the Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Drug-Protein Interactions: Structure of Sulfonamide Drug Complexed with Human Carbonic Anhydrase I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg269

b:13.4
occ:0.10
 O A:GLU214 2.7 11.1 1.0
O A:CYS212 2.8 10.3 1.0
N A:LEU147 2.9 9.2 1.0
CA A:VAL146 3.5 7.7 1.0
C A:GLU214 3.5 11.0 1.0
C A:CYS212 3.6 11.1 1.0
CB A:CYS212 3.7 14.8 1.0
CB A:LEU147 3.7 10.5 1.0
C A:VAL146 3.7 8.6 1.0
CA A:SER215 3.8 11.4 1.0
CA A:LEU147 3.9 10.0 1.0
CG1 A:VAL146 3.9 3.6 1.0
CA A:CYS212 4.0 11.2 1.0
CG A:LEU147 4.0 10.8 1.0
N A:SER215 4.0 11.0 1.0
O A:LEU147 4.1 10.6 1.0
CB A:VAL146 4.2 7.2 1.0
O A:GLY145 4.2 8.5 1.0
N A:CYS212 4.2 9.8 1.0
CD1 A:LEU147 4.2 11.8 1.0
N A:GLU214 4.3 11.1 1.0
CB A:SER215 4.4 13.7 1.0
C A:LEU147 4.5 10.2 1.0
CA A:GLU214 4.5 11.6 1.0
N A:LYS213 4.6 10.6 1.0
CG2 A:ILE211 4.6 7.0 1.0
N A:VAL146 4.6 8.2 1.0
C A:LYS213 4.6 11.1 1.0
SG A:CYS212 4.8 22.1 1.0
CG2 A:VAL146 4.8 5.5 1.0
C A:GLY145 4.8 8.4 1.0
O A:VAL146 4.9 8.2 1.0
C A:SER215 5.0 10.7 1.0

Reference:

S.Chakravarty, K.K.Kannan. Drug-Protein Interactions. Refined Structures of Three Sulfonamide Drug Complexes of Human Carbonic Anhydrase I Enzyme. J.Mol.Biol. V. 243 298 1994.
ISSN: ISSN 0022-2836
PubMed: 7932756
DOI: 10.1006/JMBI.1994.1655
Page generated: Sat Aug 10 23:26:20 2024

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