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

Protein crystallography data

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

Other elements in 3kbc:

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

Sodium (Na) 6 atoms

Mercury Binding Sites:

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 3kbc

Go back to Mercury Binding Sites List in 3kbc
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 3kbc

Go back to Mercury Binding Sites List in 3kbc
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 3kbc

Go back to Mercury Binding Sites List in 3kbc
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

Reference:

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
Page generated: Wed Oct 28 18:42:47 2020

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