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Mercury in PDB 3igq: Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel

Protein crystallography data

The structure of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel, PDB code: 3igq was solved by H.Nury, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 84.450, 130.240, 113.590, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 25.5

Other elements in 3igq:

The structure of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms
Sodium (Na) 6 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel (pdb code 3igq). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 6 binding sites of Mercury where determined in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel, PDB code: 3igq:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 in 3igq

Go back to Mercury Binding Sites List in 3igq
Mercury binding site 1 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg700

b:57.9
occ:1.00
 SG A:CYS27 2.3 43.6 1.0
O A:HOH314 2.6 35.9 1.0
CB A:CYS27 3.1 40.7 1.0
N A:CYS27 3.2 40.6 1.0
O A:HOH243 3.3 46.4 1.0
CA A:CYS27 3.8 40.6 1.0
CD1 A:LEU24 3.8 38.8 1.0
C A:GLU26 3.8 41.6 1.0
CB A:LEU24 3.9 39.6 1.0
O A:PHE156 4.0 49.6 1.0
CD1 A:ILE162 4.2 53.7 1.0
CA A:GLU26 4.3 42.3 1.0
CD1 A:PHE156 4.4 42.1 1.0
CG A:LEU24 4.4 41.2 1.0
O A:GLU26 4.5 41.0 1.0
O A:VAL155 4.6 49.9 1.0
N A:GLU26 4.7 42.7 1.0
CA A:PHE156 4.7 48.8 1.0
C A:PHE156 4.8 49.3 1.0
CE1 A:PHE156 4.9 40.1 1.0
C A:CYS27 5.0 40.3 1.0
CD2 A:LEU24 5.0 37.9 1.0

Mercury binding site 2 out of 6 in 3igq

Go back to Mercury Binding Sites List in 3igq
Mercury binding site 2 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg700

b:56.7
occ:1.00
 SG B:CYS27 2.4 43.7 1.0
O B:HOH313 2.5 35.2 1.0
CB B:CYS27 3.2 40.5 1.0
N B:CYS27 3.2 40.2 1.0
CA B:CYS27 3.8 40.4 1.0
C B:GLU26 3.8 41.4 1.0
CD1 B:LEU24 3.9 38.6 1.0
CB B:LEU24 4.0 39.9 1.0
O B:PHE156 4.1 50.2 1.0
CD1 B:ILE162 4.1 53.4 1.0
CA B:GLU26 4.3 42.3 1.0
CD1 B:PHE156 4.4 42.6 1.0
CG B:LEU24 4.5 41.0 1.0
O B:GLU26 4.5 41.0 1.0
O B:VAL155 4.6 49.5 1.0
CA B:PHE156 4.6 48.7 1.0
N B:GLU26 4.7 42.5 1.0
C B:PHE156 4.8 49.6 1.0
CE1 B:PHE156 4.9 39.8 1.0
CD2 B:LEU24 5.0 38.0 1.0

Mercury binding site 3 out of 6 in 3igq

Go back to Mercury Binding Sites List in 3igq
Mercury binding site 3 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg700

b:57.0
occ:1.00
 SG C:CYS27 2.4 42.6 1.0
O C:HOH232 2.9 46.1 1.0
CB C:CYS27 3.2 40.6 1.0
O C:HOH219 3.3 41.9 1.0
N C:CYS27 3.3 40.3 1.0
CD1 C:LEU24 3.7 38.5 1.0
CA C:CYS27 3.8 40.4 1.0
C C:GLU26 3.9 41.5 1.0
CB C:LEU24 3.9 39.2 1.0
O C:PHE156 4.1 49.8 1.0
CD1 C:ILE162 4.2 53.5 1.0
CG C:LEU24 4.4 41.0 1.0
CD1 C:PHE156 4.4 41.8 1.0
CA C:GLU26 4.4 42.3 1.0
O C:VAL155 4.6 49.7 1.0
O C:GLU26 4.6 40.6 1.0
CA C:PHE156 4.7 48.9 1.0
N C:GLU26 4.8 42.9 1.0
C C:PHE156 4.8 49.5 1.0
CE1 C:PHE156 4.9 39.7 1.0
CD2 C:LEU24 4.9 37.6 1.0
C C:CYS27 5.0 40.2 1.0

Mercury binding site 4 out of 6 in 3igq

Go back to Mercury Binding Sites List in 3igq
Mercury binding site 4 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg700

b:58.9
occ:1.00
 O D:HOH311 2.2 30.4 1.0
SG D:CYS27 2.4 43.3 1.0
CB D:CYS27 3.1 40.7 1.0
O D:HOH216 3.3 41.3 1.0
N D:CYS27 3.4 40.4 1.0
CD1 D:LEU24 3.6 38.5 1.0
CA D:CYS27 3.9 40.5 1.0
CB D:LEU24 3.9 39.6 1.0
C D:GLU26 4.0 41.6 1.0
O D:PHE156 4.0 50.1 1.0
CD1 D:ILE162 4.1 53.2 1.0
CG D:LEU24 4.3 41.3 1.0
CD1 D:PHE156 4.4 42.3 1.0
CA D:GLU26 4.5 42.3 1.0
O D:VAL155 4.6 50.1 1.0
O D:GLU26 4.6 40.5 1.0
CA D:PHE156 4.7 49.0 1.0
C D:PHE156 4.8 49.5 1.0
N D:GLU26 4.8 42.5 1.0
CD2 D:LEU24 4.9 37.3 1.0
CE1 D:PHE156 4.9 39.5 1.0

Mercury binding site 5 out of 6 in 3igq

Go back to Mercury Binding Sites List in 3igq
Mercury binding site 5 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Hg700

b:55.8
occ:1.00
 SG E:CYS27 2.3 43.5 1.0
O E:HOH312 2.9 39.9 1.0
CB E:CYS27 3.2 40.7 1.0
N E:CYS27 3.3 40.5 1.0
CD1 E:LEU24 3.8 38.1 1.0
CA E:CYS27 3.8 40.7 1.0
C E:GLU26 3.9 41.5 1.0
O E:PHE156 4.0 49.8 1.0
CB E:LEU24 4.0 39.4 1.0
CD1 E:ILE162 4.2 53.3 1.0
CD1 E:PHE156 4.4 42.2 1.0
CA E:GLU26 4.4 42.2 1.0
CG E:LEU24 4.4 40.5 1.0
O E:GLU26 4.5 40.8 1.0
O E:VAL155 4.6 49.4 1.0
CA E:PHE156 4.7 48.8 1.0
C E:PHE156 4.8 49.4 1.0
N E:GLU26 4.8 42.6 1.0
CE1 E:PHE156 4.9 39.5 1.0
CD2 E:LEU24 5.0 37.5 1.0

Mercury binding site 6 out of 6 in 3igq

Go back to Mercury Binding Sites List in 3igq
Mercury binding site 6 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Hg700

b:57.8
occ:1.00
 SG F:CYS27 2.4 43.4 1.0
CB F:CYS27 3.0 40.2 1.0
N F:CYS27 3.2 40.5 1.0
O F:HOH216 3.4 43.4 1.0
CD1 F:LEU24 3.7 39.0 1.0
CA F:CYS27 3.7 40.5 1.0
C F:GLU26 3.8 41.2 1.0
CB F:LEU24 3.9 39.2 1.0
O F:PHE156 4.1 49.6 1.0
CD1 F:ILE162 4.2 53.5 1.0
CA F:GLU26 4.3 42.1 1.0
CG F:LEU24 4.3 41.3 1.0
CD1 F:PHE156 4.4 42.2 1.0
O F:GLU26 4.5 40.2 1.0
O F:VAL155 4.6 50.0 1.0
N F:GLU26 4.6 42.5 1.0
CA F:PHE156 4.8 48.7 1.0
CD2 F:LEU24 4.8 37.4 1.0
C F:PHE156 4.9 49.5 1.0
CE1 F:PHE156 4.9 39.7 1.0
C F:CYS27 4.9 40.2 1.0
CD2 F:LEU188 5.0 47.1 1.0

Reference:

H.Nury, N.Bocquet, C.Le Poupon, B.Raynal, A.Haouz, P.-J.Corringer, M.Delarue. Crystal Structure of the Extracellular Domain of A Bacterial Ligand-Gated Ion Channel J.Mol.Biol. V. 395 1114 2010.
ISSN: ISSN 0022-2836
PubMed: 19917292
DOI: 10.1016/J.JMB.2009.11.024
Page generated: Sun Aug 11 03:50:07 2024

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