Mercury in PDB 3kbc: Crystal Structure of Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury

The structure of Crystal Structure of Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury, PDB code: 3kbc was solved by N.Reyes, C.Ginter, O.Boudker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 3.51
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	113.142, 206.780, 205.971, 90.00, 90.00, 90.00
R / Rfree (%)	26.7 / 27

The structure of Crystal Structure of Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Mercury atom in the Crystal Structure of Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury (pdb code 3kbc). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Crystal Structure of Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury, PDB code: 3kbc:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in the Crystal Structure of Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury


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 Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg501 b:95.2 occ:0.30 SG A:CYS364 1.9 0.9 1.0 SG A:CYS55 2.2 0.8 1.0 CB A:CYS55 3.2 0.8 1.0 CD2 A:LEU374 3.3 0.2 1.0 CA A:CYS55 3.3 0.7 1.0 CB A:CYS364 3.4 0.5 1.0 OH A:TYR383 3.4 98.7 1.0 N A:CYS55 3.7 0.6 1.0 CZ A:TYR383 3.8 98.5 1.0 CE2 A:TYR383 4.2 98.7 1.0 CE1 A:TYR383 4.5 98.6 1.0 C A:LEU54 4.5 0.5 1.0 CA A:CYS364 4.6 0.3 1.0 C A:CYS55 4.7 0.5 1.0 CG A:LEU374 4.7 0.8 1.0 CG1 A:VAL58 4.7 0.1 1.0 O A:VAL51 4.8 99.1 1.0 O A:LEU54 4.8 0.7 1.0 CB A:VAL58 4.8 1.0 1.0 O A:ILE361 4.8 0.9 1.0 N A:CYS364 5.0 0.1 1.0

Mercury binding site 2 out of 3 in the Crystal Structure of Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury


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 Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg501 b:92.5 occ:0.30 SG B:CYS364 1.9 0.4 1.0 SG B:CYS55 2.1 0.6 1.0 CB B:CYS55 3.2 0.6 1.0 CD2 B:LEU374 3.2 0.7 1.0 CA B:CYS55 3.3 0.6 1.0 OH B:TYR383 3.4 98.5 1.0 CB B:CYS364 3.4 0.1 1.0 N B:CYS55 3.7 0.3 1.0 CZ B:TYR383 3.8 98.5 1.0 CE2 B:TYR383 4.2 98.6 1.0 CE1 B:TYR383 4.4 98.6 1.0 C B:LEU54 4.5 0.1 1.0 CA B:CYS364 4.7 0.1 1.0 CG B:LEU374 4.7 0.6 1.0 C B:CYS55 4.7 0.6 1.0 O B:VAL51 4.8 99.2 1.0 CG1 B:VAL58 4.8 0.4 1.0 O B:LEU54 4.8 0.1 1.0 CB B:VAL58 4.8 0.1 1.0 O B:ILE361 4.8 0.7 1.0 N B:CYS364 5.0 0.9 1.0

Mercury binding site 3 out of 3 in the Crystal Structure of Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury


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 Gltph K55C-A364C Mutant Crosslinked with Divalent Mercury within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg501 b:94.1 occ:0.30 SG C:CYS364 1.8 1.0 1.0 SG C:CYS55 2.2 0.3 1.0 CB C:CYS55 3.2 0.6 1.0 CD2 C:LEU374 3.3 0.6 1.0 CB C:CYS364 3.3 0.0 1.0 CA C:CYS55 3.3 0.5 1.0 OH C:TYR383 3.4 98.8 1.0 N C:CYS55 3.8 0.2 1.0 CZ C:TYR383 3.8 98.8 1.0 CE2 C:TYR383 4.3 98.8 1.0 CE1 C:TYR383 4.5 98.8 1.0 C C:LEU54 4.5 0.0 1.0 CA C:CYS364 4.6 0.0 1.0 C C:CYS55 4.7 0.5 1.0 CG C:LEU374 4.7 0.6 1.0 CG1 C:VAL58 4.7 0.3 1.0 O C:LEU54 4.8 0.1 1.0 CB C:VAL58 4.8 0.9 1.0 O C:ILE361 4.8 0.9 1.0 O C:VAL51 4.8 99.4 1.0 N C:CYS364 4.9 0.9 1.0

N.Reyes, C.Ginter, O.Boudker. Transport Mechanism of A Bacterial Homologue of Glutamate Transporters. Nature V. 462 880 2009.
ISSN: ISSN 0028-0836
PubMed: 19924125
DOI: 10.1038/NATURE08616