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Mercury in PDB 5crl: Crystal Structure of the Transcription Activator TN501 Merr in Complex with Mercury (II)

Protein crystallography data

The structure of Crystal Structure of the Transcription Activator TN501 Merr in Complex with Mercury (II), PDB code: 5crl was solved by D.Wang, J.H.Gan, H.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.77 / 2.80
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 75.011, 75.011, 97.761, 90.00, 90.00, 120.00
R / Rfree (%) 23 / 26.6

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of the Transcription Activator TN501 Merr in Complex with Mercury (II) (pdb code 5crl). 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 Transcription Activator TN501 Merr in Complex with Mercury (II), PDB code: 5crl:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 5crl

Go back to Mercury Binding Sites List in 5crl
Mercury binding site 1 out of 2 in the Crystal Structure of the Transcription Activator TN501 Merr in Complex with Mercury (II)


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 Transcription Activator TN501 Merr in Complex with Mercury (II) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg201

b:0.0
occ:1.00
SG B:CYS82 2.5 0.5 1.0
SG A:CYS126 2.6 0.8 1.0
SG A:CYS117 2.6 0.1 1.0
CB A:CYS117 3.5 0.5 1.0
CB B:CYS82 3.6 0.8 1.0
CA B:CYS82 3.7 0.9 1.0
O B:CYS82 3.7 0.7 1.0
CD A:PRO127 3.7 97.2 1.0
CB A:CYS126 3.8 0.9 1.0
OG B:SER86 4.0 84.4 1.0
CA A:CYS117 4.0 0.8 1.0
CA A:CYS126 4.0 0.3 1.0
N A:PRO127 4.1 96.7 1.0
C B:CYS82 4.1 0.1 1.0
CB B:ALA85 4.1 86.4 1.0
N A:LEU128 4.1 91.6 1.0
CB A:LEU128 4.2 92.1 1.0
C A:CYS126 4.3 0.2 1.0
N B:SER86 4.6 81.9 1.0
CG A:PRO127 4.8 98.0 1.0
CA A:LEU128 4.8 91.8 1.0
C A:CYS117 4.9 0.5 1.0
N B:CYS82 4.9 0.6 1.0
O A:CYS117 4.9 0.3 1.0

Mercury binding site 2 out of 2 in 5crl

Go back to Mercury Binding Sites List in 5crl
Mercury binding site 2 out of 2 in the Crystal Structure of the Transcription Activator TN501 Merr in Complex with Mercury (II)


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 Transcription Activator TN501 Merr in Complex with Mercury (II) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg202

b:0.4
occ:1.00
SG B:CYS117 2.6 89.9 1.0
SG A:CYS82 2.6 0.8 1.0
SG B:CYS126 2.6 87.2 1.0
CB B:CYS117 3.5 82.2 1.0
CB A:CYS82 3.6 0.2 1.0
CD B:PRO127 3.6 76.4 1.0
CA A:CYS82 3.6 95.3 1.0
O A:CYS82 3.7 89.6 1.0
CB B:CYS126 3.7 83.1 1.0
CA B:CYS117 3.9 79.3 1.0
CA B:CYS126 4.0 82.7 1.0
OG A:SER86 4.0 93.8 1.0
N B:PRO127 4.0 78.6 1.0
N B:LEU128 4.1 69.1 1.0
CB A:ALA85 4.1 84.4 1.0
C A:CYS82 4.1 94.3 1.0
CB B:LEU128 4.1 71.0 1.0
C B:CYS126 4.3 81.2 1.0
N A:SER86 4.6 80.1 1.0
CG B:PRO127 4.7 76.0 1.0
CA B:LEU128 4.8 69.7 1.0
C B:CYS117 4.8 78.7 1.0
O B:CYS117 4.8 73.7 1.0
N A:CYS82 4.9 95.4 1.0
CA B:PRO127 4.9 75.7 1.0
CB B:PRO127 5.0 75.8 1.0
N B:CYS117 5.0 74.3 1.0

Reference:

D.Wang, S.Huang, P.Liu, X.Liu, Y.He, W.Chen, Q.Hu, T.Wei, J.Gan, J.Ma, H.Chen. Structural Analysis of the Hg(II)-Regulatory Protein TN501 Merr From Pseudomonas Aeruginosa. Sci Rep V. 6 33391 2016.
ISSN: ESSN 2045-2322
PubMed: 27641146
DOI: 10.1038/SREP33391
Page generated: Sun Dec 13 19:12:28 2020

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