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Mercury in PDB 2j4c: Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2

Enzymatic activity of Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2

All present enzymatic activity of Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2:
3.1.1.8;

Protein crystallography data

The structure of Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2, PDB code: 2j4c was solved by J.P.Colletier, M.F.Frasco, F.Carvalho, L.Guilhermino, J.Stojan, D.Fournier, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.39 / 2.75
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 153.760, 153.760, 128.580, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 23.1

Other elements in 2j4c:

The structure of Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2 also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2 (pdb code 2j4c). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2, PDB code: 2j4c:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 2j4c

Go back to Mercury Binding Sites List in 2j4c
Mercury binding site 1 out of 4 in the Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1540

b:0.0
occ:0.25
 CG A:MET511 2.8 84.3 1.0
CE A:MET511 2.9 84.3 1.0
SD A:MET511 3.2 84.3 1.0
CB A:MET511 4.3 84.3 1.0
CD A:ARG509 4.5 0.1 1.0
O A:ILE510 4.6 76.0 1.0
O A:HOH2322 4.7 61.1 1.0
CA A:MET511 4.9 58.3 1.0

Mercury binding site 2 out of 4 in 2j4c

Go back to Mercury Binding Sites List in 2j4c
Mercury binding site 2 out of 4 in the Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1541

b:0.1
occ:0.50
 ND1 A:HIS423 2.4 55.7 1.0
OD1 A:ASN504 3.0 74.0 1.0
CE1 A:HIS423 3.1 55.7 1.0
OG1 A:THR505 3.1 68.8 1.0
CG A:HIS423 3.5 55.7 1.0
CB A:HIS423 4.0 55.7 1.0
CA A:HIS423 4.0 48.7 1.0
CG2 A:THR505 4.1 68.8 1.0
CG A:ASN504 4.1 74.0 1.0
CB A:THR505 4.2 68.8 1.0
O A:HOH2317 4.2 61.1 1.0
N A:THR505 4.3 69.0 1.0
NE2 A:HIS423 4.3 55.7 1.0
N A:ARG424 4.3 65.1 1.0
CD2 A:HIS423 4.5 55.7 1.0
O A:GLU422 4.6 49.4 1.0
C A:HIS423 4.6 48.7 1.0
CG A:GLU506 4.7 0.6 1.0
ND2 A:ASN504 4.8 74.0 1.0
CA A:THR505 4.9 69.0 1.0
O A:ARG424 4.9 65.1 1.0

Mercury binding site 3 out of 4 in 2j4c

Go back to Mercury Binding Sites List in 2j4c
Mercury binding site 3 out of 4 in the Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1542

b:0.9
occ:0.75
 NE2 A:HIS77 2.8 62.2 1.0
O A:HOH2044 2.9 61.1 1.0
O A:HOH2283 3.1 61.1 1.0
SD A:MET81 3.6 68.5 1.0
CD2 A:HIS77 3.7 62.2 1.0
CE1 A:HIS77 3.7 62.2 1.0
CE A:MET81 3.8 68.5 1.0
O A:HOH2109 3.8 61.1 1.0
O A:HOH2276 4.2 20.0 1.0
CB A:MET81 4.4 68.5 1.0
CG A:MET81 4.7 68.5 1.0
CG1 A:VAL127 4.8 47.4 1.0
ND1 A:HIS77 4.8 62.2 1.0
CG A:HIS77 4.8 62.2 1.0
O A:HOH2111 4.9 61.1 1.0
OE1 A:GLU443 4.9 63.6 1.0
O A:HOH2274 5.0 61.1 1.0

Mercury binding site 4 out of 4 in 2j4c

Go back to Mercury Binding Sites List in 2j4c
Mercury binding site 4 out of 4 in the Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure of Human Butyrylcholinesterase in Complex with 10MM HGCL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg3003

b:0.1
occ:0.50
 O3 A:SO41549 2.2 0.3 1.0
O1 A:SO41549 2.7 0.3 1.0
S A:SO41549 2.9 0.3 1.0
O2 A:SO41549 3.5 0.3 1.0
O A:HOH2363 3.9 61.1 0.5
O4 A:SO41549 4.2 0.3 1.0
CD1 A:PHE521 4.6 57.3 1.0
ND1 A:HIS372 4.6 84.3 1.0
O A:HOH2332 4.8 61.1 1.0
O A:HOH2330 4.8 61.1 1.0

Reference:

M.F.Frasco, J.Colletier, M.Weik, F.Carvalho, L.Guilhermino, J.Stojan, D.Fournier. Mechanisms of Cholinesterase Inhibition By Inorganic Mercury. Febs J. V. 274 1849 2007.
ISSN: ISSN 1742-464X
PubMed: 17355286
DOI: 10.1111/J.1742-4658.2007.05732.X
Page generated: Sun Aug 11 02:40:22 2024

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