Thallium in PDB 3e76: Crystal Structure of Wild-Type Groel with Bound Thallium Ions

All present enzymatic activity of Crystal Structure of Wild-Type Groel with Bound Thallium Ions:
3.6.4.9;

The structure of Crystal Structure of Wild-Type Groel with Bound Thallium Ions, PDB code: 3e76 was solved by P.D.Kiser, G.H.Lorimer, K.Palczewski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.39 / 3.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	135.676, 260.954, 287.872, 90.00, 90.00, 90.00
R / Rfree (%)	26.1 / 29.3

The structure of Crystal Structure of Wild-Type Groel with Bound Thallium Ions also contains other interesting chemical elements:

Magnesium

(Mg)

14 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 46;

Binding sites:

The binding sites of Thallium atom in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions (pdb code 3e76). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 46 binding sites of Thallium where determined in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions, PDB code: 3e76:
Jump to Thallium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Thallium binding site 1 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl550 b:0.2 occ:0.40 O A:SER217 2.7 0.2 1.0 OE1 A:GLN319 2.8 0.2 1.0 O A:PRO218 3.1 0.2 1.0 C A:SER217 3.5 0.2 1.0 CD A:GLN319 3.6 0.2 1.0 C A:PRO218 3.6 0.2 1.0 CG A:GLN319 3.8 0.2 1.0 CZ A:PHE219 3.9 0.2 1.0 CE1 A:PHE219 3.9 0.2 1.0 CE2 A:PHE219 4.0 0.2 1.0 CD A:LYS245 4.1 0.2 1.0 CD1 A:PHE219 4.1 0.2 1.0 N A:PRO218 4.1 0.2 1.0 CB A:SER217 4.1 0.2 1.0 CD2 A:PHE219 4.2 0.2 1.0 CA A:PRO218 4.2 0.2 1.0 CG A:PHE219 4.2 0.2 1.0 N A:PHE219 4.3 0.2 1.0 CA A:SER217 4.3 0.2 1.0 CB A:GLN319 4.5 0.2 1.0 O A:ALA320 4.6 0.2 1.0 NE2 A:GLN319 4.7 0.2 1.0 OG A:SER217 4.7 0.2 1.0 CA A:PHE219 4.7 0.2 1.0 CE A:LYS245 4.8 0.2 1.0 CG A:LYS245 4.9 0.2 1.0 NZ A:LYS245 4.9 0.2 1.0 CB A:LYS245 5.0 0.2 1.0

Thallium binding site 2 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl551 b:0.2 occ:0.50 OE2 A:GLU483 2.3 0.2 1.0 O A:CYS458 2.7 0.2 1.0 OD1 B:ASN112 3.1 0.2 1.0 OD2 B:ASP115 3.4 0.2 1.0 CD A:GLU483 3.5 0.2 1.0 C A:CYS458 3.9 0.2 1.0 SG A:CYS458 4.0 0.2 1.0 CG B:ASN112 4.2 0.2 1.0 CG A:GLU483 4.4 0.2 1.0 CG B:ASP115 4.4 0.2 1.0 OE1 A:GLU483 4.4 0.2 1.0 OE2 A:GLU460 4.6 0.2 1.0 CB B:ASN112 4.6 0.2 1.0 ND2 B:ASN433 4.7 0.2 1.0 OD1 B:ASP115 4.7 0.2 1.0 CG A:GLU460 4.8 0.2 1.0 CA A:GLY459 4.8 0.2 1.0 N A:GLY459 4.8 0.2 1.0 CA A:CYS458 4.8 0.2 1.0

Thallium binding site 3 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 3 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl552 b:0.2 occ:0.60 O A:THR30 2.2 0.2 1.0 O A:LYS51 3.0 0.2 1.0 O1A A:AGS549 3.0 0.2 1.0 OG1 A:THR30 3.1 0.2 1.0 C A:THR30 3.2 0.2 1.0 OG1 A:THR90 3.4 0.2 1.0 O3G A:AGS549 3.5 0.2 1.0 CB A:THR30 3.5 0.2 1.0 O3A A:AGS549 3.7 0.2 1.0 PA A:AGS549 4.0 0.2 1.0 CA A:THR30 4.0 0.2 1.0 N A:GLY53 4.1 0.2 1.0 N A:LEU31 4.1 0.2 1.0 C A:LYS51 4.1 0.2 1.0 CB A:THR90 4.2 0.2 1.0 CA A:LEU31 4.3 0.2 1.0 CG2 A:THR90 4.3 0.2 1.0 PG A:AGS549 4.6 0.2 1.0 CA A:GLY53 4.7 0.2 1.0 O3B A:AGS549 4.8 0.2 1.0 CG2 A:THR30 4.9 0.2 1.0 CA A:ASP52 4.9 0.2 1.0 C A:ASP52 5.0 0.2 1.0 PB A:AGS549 5.0 0.2 1.0 O5' A:AGS549 5.0 0.2 1.0 CB A:LYS51 5.0 0.2 1.0 N A:ASP52 5.0 0.2 1.0

Thallium binding site 4 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 4 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl550 b:0.2 occ:0.40 O B:CYS458 2.5 0.2 1.0 OE2 B:GLU483 2.6 0.2 1.0 OD1 C:ASN112 3.3 0.2 1.0 C B:CYS458 3.7 0.2 1.0 CD B:GLU483 3.8 0.2 1.0 OD2 C:ASP115 4.1 0.2 1.0 OE2 B:GLU460 4.1 0.2 1.0 SG B:CYS458 4.1 0.2 1.0 CG B:GLU460 4.3 0.2 1.0 CG C:ASN112 4.4 0.2 1.0 CA B:GLY459 4.4 0.2 1.0 N B:GLU460 4.5 0.2 1.0 N B:GLY459 4.5 0.2 1.0 CG B:GLU483 4.6 0.2 1.0 C B:GLY459 4.6 0.2 1.0 OE1 B:GLU483 4.7 0.2 1.0 CD B:GLU460 4.7 0.2 1.0 CA B:CYS458 4.8 0.2 1.0 CB C:ASN112 4.8 0.2 1.0

Thallium binding site 5 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 5 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl551 b:0.2 occ:0.70 O B:THR30 2.5 0.2 1.0 O3G B:AGS549 2.7 0.2 1.0 OG1 B:THR30 3.0 0.2 1.0 OG1 B:THR90 3.0 0.2 1.0 O B:LYS51 3.1 0.2 1.0 O1A B:AGS549 3.2 0.2 1.0 C B:THR30 3.4 0.2 1.0 O3A B:AGS549 3.5 0.2 1.0 CB B:THR30 3.5 0.2 1.0 N B:GLY53 3.9 0.2 1.0 CB B:THR90 3.9 0.2 1.0 PG B:AGS549 4.0 0.2 1.0 PA B:AGS549 4.0 0.2 1.0 CG2 B:THR90 4.0 0.2 1.0 CA B:THR30 4.1 0.2 1.0 O3B B:AGS549 4.2 0.2 1.0 C B:LYS51 4.2 0.2 1.0 N B:LEU31 4.2 0.2 1.0 CA B:GLY53 4.3 0.2 1.0 CA B:LEU31 4.4 0.2 1.0 PB B:AGS549 4.6 0.2 1.0 C B:ASP52 4.8 0.2 1.0 O2G B:AGS549 4.8 0.2 1.0 CA B:ASP52 4.9 0.2 1.0 CG2 B:THR30 4.9 0.2 1.0 O2A B:AGS549 4.9 0.2 1.0 N B:ASP52 5.0 0.2 1.0

Thallium binding site 6 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 6 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl552 b:0.2 occ:0.40 O B:SER217 2.9 0.2 1.0 O B:PRO218 3.4 0.2 1.0 CD B:LYS245 3.5 0.2 1.0 C B:PRO218 3.5 0.2 1.0 C B:SER217 3.5 0.2 1.0 CZ B:PHE219 3.7 0.2 1.0 CE2 B:PHE219 3.7 0.2 1.0 CE1 B:PHE219 3.8 0.2 1.0 CG B:LYS245 3.8 0.2 1.0 CD2 B:PHE219 3.8 0.2 1.0 CB B:LYS245 3.9 0.2 1.0 CD1 B:PHE219 3.9 0.2 1.0 CG B:PHE219 3.9 0.2 1.0 N B:PHE219 3.9 0.2 1.0 CA B:PRO218 4.0 0.2 1.0 N B:PRO218 4.0 0.2 1.0 OG B:SER217 4.0 0.2 1.0 OE1 B:GLN319 4.1 0.2 1.0 CE B:LYS245 4.2 0.2 1.0 CG B:GLN319 4.3 0.2 1.0 O B:ALA320 4.4 0.2 1.0 CA B:PHE219 4.5 0.2 1.0 CA B:SER217 4.6 0.2 1.0 CB B:GLN319 4.6 0.2 1.0 CB B:SER217 4.6 0.2 1.0 CD B:GLN319 4.7 0.2 1.0 NZ B:LYS245 4.7 0.2 1.0 CB B:PHE219 4.8 0.2 1.0 CA B:GLN319 4.9 0.2 1.0

Thallium binding site 7 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 7 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl550 b:0.2 occ:0.40 OE2 C:GLU483 2.3 0.2 1.0 O C:CYS458 2.5 0.2 1.0 OD1 D:ASN112 3.1 0.2 1.0 CD C:GLU483 3.4 0.2 1.0 SG C:CYS458 3.5 0.2 1.0 C C:CYS458 3.7 0.2 1.0 OD2 D:ASP115 4.0 0.2 1.0 CG C:GLU483 4.1 0.2 1.0 CG D:ASN112 4.3 0.2 1.0 CA C:CYS458 4.4 0.2 1.0 OE1 C:GLU483 4.4 0.2 1.0 CB C:CYS458 4.6 0.2 1.0 CG D:ASP115 4.7 0.2 1.0 OD1 D:ASP115 4.7 0.2 1.0 N C:GLY459 4.7 0.2 1.0 CE C:LYS34 4.8 0.2 1.0 CA C:GLY459 4.9 0.2 1.0

Thallium binding site 8 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 8 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl551 b:0.2 occ:0.50 O C:THR30 2.4 0.2 1.0 O C:LYS51 3.1 0.2 1.0 OG1 C:THR30 3.1 0.2 1.0 OG1 C:THR90 3.1 0.2 1.0 O1A C:AGS549 3.2 0.2 1.0 O3G C:AGS549 3.2 0.2 1.0 C C:THR30 3.4 0.2 1.0 CB C:THR30 3.6 0.2 1.0 O3A C:AGS549 3.7 0.2 1.0 N C:GLY53 4.0 0.2 1.0 CB C:THR90 4.0 0.2 1.0 PA C:AGS549 4.1 0.2 1.0 CA C:THR30 4.2 0.2 1.0 CG2 C:THR90 4.2 0.2 1.0 C C:LYS51 4.2 0.2 1.0 N C:LEU31 4.3 0.2 1.0 CA C:LEU31 4.4 0.2 1.0 PG C:AGS549 4.5 0.2 1.0 CA C:GLY53 4.5 0.2 1.0 O3B C:AGS549 4.7 0.2 1.0 C C:ASP52 4.8 0.2 1.0 CA C:ASP52 4.9 0.2 1.0 PB C:AGS549 4.9 0.2 1.0 N C:ASP52 5.0 0.2 1.0

Thallium binding site 9 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 9 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl552 b:0.2 occ:0.40 O C:SER217 3.1 0.2 1.0 C C:PRO218 3.6 0.2 1.0 CE2 C:PHE219 3.6 0.2 1.0 CZ C:PHE219 3.6 0.2 1.0 O C:PRO218 3.7 0.2 1.0 C C:SER217 3.7 0.2 1.0 CD2 C:PHE219 3.8 0.2 1.0 CE1 C:PHE219 3.8 0.2 1.0 OE1 C:GLN319 3.8 0.2 1.0 N C:PHE219 3.9 0.2 1.0 CG C:PHE219 3.9 0.2 1.0 CD1 C:PHE219 3.9 0.2 1.0 CG C:GLN319 4.0 0.2 1.0 CD C:LYS245 4.0 0.2 1.0 CA C:PRO218 4.0 0.2 1.0 N C:PRO218 4.1 0.2 1.0 CB C:LYS245 4.2 0.2 1.0 CB C:GLN319 4.2 0.2 1.0 CD C:GLN319 4.4 0.2 1.0 O C:ALA320 4.4 0.2 1.0 OG C:SER217 4.4 0.2 1.0 CA C:PHE219 4.5 0.2 1.0 CA C:GLN319 4.6 0.2 1.0 CA C:SER217 4.7 0.2 1.0 CG C:LYS245 4.7 0.2 1.0 N C:ALA320 4.8 0.2 1.0 CB C:PHE219 4.8 0.2 1.0 CB C:SER217 4.9 0.2 1.0

Thallium binding site 10 out of 46 in the Crystal Structure of Wild-Type Groel with Bound Thallium Ions


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 10 of Crystal Structure of Wild-Type Groel with Bound Thallium Ions within 5.0Å range: probe atom residue distance (Å) B Occ D:Tl550 b:0.2 occ:0.40 O D:SER217 2.7 0.2 1.0 O D:PRO218 3.1 0.2 1.0 OE1 D:GLN319 3.2 0.2 1.0 C D:PRO218 3.3 0.2 1.0 CZ D:PHE219 3.4 0.2 1.0 CE2 D:PHE219 3.5 0.2 1.0 CE1 D:PHE219 3.5 0.2 1.0 C D:SER217 3.5 0.2 1.0 CG D:GLN319 3.5 0.2 1.0 CD1 D:PHE219 3.6 0.2 1.0 CD2 D:PHE219 3.6 0.2 1.0 CG D:PHE219 3.6 0.2 1.0 N D:PHE219 3.7 0.2 1.0 CD D:GLN319 3.8 0.2 1.0 N D:PRO218 3.9 0.2 1.0 CA D:PRO218 4.0 0.2 1.0 CB D:GLN319 4.1 0.2 1.0 CD D:LYS245 4.2 0.2 1.0 CA D:PHE219 4.2 0.2 1.0 CB D:PHE219 4.5 0.2 1.0 CA D:SER217 4.6 0.2 1.0 CB D:LYS245 4.6 0.2 1.0 CB D:SER217 4.6 0.2 1.0 CA D:GLN319 4.6 0.2 1.0 CG D:LYS245 4.7 0.2 1.0

P.D.Kiser, G.H.Lorimer, K.Palczewski. Use of Thallium to Identify Monovalent Cation Binding Sites in Groel. Acta Crystallogr.,Sect.F V. 65 967 2009.
ISSN: ESSN 1744-3091
PubMed: 19851000
DOI: 10.1107/S1744309109032928