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Mercury in PDB 4fj4: Crystal Structure of the Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50

Protein crystallography data

The structure of Crystal Structure of the Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50, PDB code: 4fj4 was solved by A.Kuzin, Y.Chen, S.M.Vorobiev, J.Seetharaman, J.Janjua, R.Xiao, K.Cunningham, M.Maglaqui, L.A.Owens, H.Wang, J.K.Everett, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.84 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.812, 85.107, 113.485, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 25.6

Other elements in 4fj4:

The structure of Crystal Structure of the Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of the Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50 (pdb code 4fj4). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Crystal Structure of the Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50, PDB code: 4fj4:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 4fj4

Go back to Mercury Binding Sites List in 4fj4
Mercury binding site 1 out of 2 in the Crystal Structure of the Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50


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 Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg201

b:59.7
occ:0.40
HG A:EMC201 0.0 59.7 0.4
C1 A:EMC201 2.0 15.2 0.2
C1 A:EMC201 2.0 15.2 0.2
SG A:CYS167 2.7 36.2 1.0
C2 A:EMC201 2.9 15.2 0.2
C2 A:EMC201 3.0 15.2 0.2
CD2 A:PHE158 3.3 50.3 1.0
CB A:CYS167 3.4 25.8 1.0
O A:SER166 3.5 36.6 1.0
CA A:CYS167 3.7 25.3 1.0
CB A:PHE158 4.0 32.9 1.0
CG A:PHE158 4.0 42.0 1.0
C A:SER166 4.0 33.0 1.0
CB A:PHE165 4.1 32.9 1.0
CE2 A:PHE158 4.1 53.1 1.0
N A:CYS167 4.2 26.7 1.0
N A:PHE158 4.5 25.7 1.0
CD2 A:PHE165 4.7 57.5 1.0
CG A:PHE165 4.8 44.8 1.0
CA A:PHE158 4.9 29.3 1.0
N A:SER166 4.9 31.4 1.0

Mercury binding site 2 out of 2 in 4fj4

Go back to Mercury Binding Sites List in 4fj4
Mercury binding site 2 out of 2 in the Crystal Structure of the Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50


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 Protein Q9HRE7 Complexed with Mercury From Halobacterium Salinarium at the Resolution 2.1A, Northeast Structural Genomics Consortium Target HSR50 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg201

b:50.1
occ:0.40
HG B:EMC201 0.0 50.1 0.4
C1 B:EMC201 2.0 15.2 0.2
SG B:CYS167 2.7 33.8 1.0
C2 B:EMC201 2.9 15.2 0.2
CD2 B:PHE158 3.1 50.7 1.0
O B:SER166 3.2 37.4 1.0
CB B:CYS167 3.5 30.6 1.0
CA B:CYS167 3.7 32.3 1.0
C B:SER166 3.7 36.5 1.0
CB B:PHE158 3.8 31.9 1.0
CG B:PHE158 3.8 38.5 1.0
CE2 B:PHE158 4.0 50.2 1.0
CB B:PHE165 4.0 34.9 1.0
N B:CYS167 4.0 32.5 1.0
N B:PHE158 4.4 26.4 1.0
N B:SER166 4.6 30.6 1.0
CD2 B:PHE165 4.7 62.7 1.0
CG B:PHE165 4.7 51.4 1.0
CA B:PHE158 4.7 26.1 1.0
CA B:SER166 4.8 38.5 1.0
C B:PHE165 4.9 39.2 1.0

Reference:

A.Kuzin, Y.Chen, S.M.Vorobiev, J.Seetharaman, J.Janjua, R.Xiao, K.Cunningham, M.Maglaqui, L.A.Owens, H.Wang, J.K.Everett, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong. Northeast Structural Genomics Consortium Target HSR50 To Be Published.
Page generated: Sun Dec 13 19:11:01 2020

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