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Mercury in PDB 1xma: Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833

Protein crystallography data

The structure of Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833, PDB code: 1xma was solved by H.Yang, L.Chen, D.Lee, J.Habel, J.Nguyen, S.-H.Chang, I.Kataeva, H.Xu, J.Chang, M.Zhao, P.Horanyi, Q.Florence, W.Zhou, W.Tempel, D.Lin, J.Praissman, H.Zhang, W.B.Arendall Iii, J.S.Richardson, D.C.Richardson, L.Ljungdahl, Z.-J.Liu, J.P.Rose, B.-C.Wang, Southeast Collaboratory Forstructural Genomics (Secsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.24 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.483, 52.160, 51.076, 90.00, 92.46, 90.00
R / Rfree (%) 20.5 / 26.7

Mercury Binding Sites:

The binding sites of Mercury atom in the Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833 (pdb code 1xma). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833, PDB code: 1xma:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 1xma

Go back to Mercury Binding Sites List in 1xma
Mercury binding site 1 out of 4 in the Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg115

b:41.9
occ:0.30
SG A:CYS91 2.3 25.1 0.3
SG A:CYS91 3.0 24.6 0.7
CE2 A:TYR87 3.1 29.1 1.0
CB A:CYS91 3.1 24.5 0.7
CB A:CYS91 3.2 25.1 0.3
OH A:TYR87 3.7 24.6 1.0
CZ A:TYR87 3.7 26.0 1.0
CD2 A:TYR87 4.0 26.4 1.0
HG A:HG116 4.2 33.9 0.4
CA A:CYS91 4.7 25.7 1.0
CA A:LYS88 4.7 32.1 1.0
CG A:LYS88 4.8 34.5 1.0
CE1 A:TYR87 4.9 24.2 1.0
O A:TYR87 4.9 29.4 1.0

Mercury binding site 2 out of 4 in 1xma

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Mercury binding site 2 out of 4 in the Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg116

b:33.9
occ:0.40
SG A:CYS91 2.0 24.6 0.7
CB A:CYS91 2.8 25.1 0.3
CB A:CYS91 2.8 24.5 0.7
C A:CYS91 3.1 26.1 1.0
O A:CYS91 3.3 30.1 1.0
N A:GLU92 3.4 28.1 1.0
CA A:CYS91 3.5 25.7 1.0
CG A:GLU95 3.9 37.8 1.0
CA A:GLU92 4.0 29.5 1.0
SG A:CYS91 4.0 25.1 0.3
HG A:HG115 4.2 41.9 0.3
OE2 A:GLU95 4.6 40.4 1.0
CG A:GLU92 4.7 37.8 1.0
N A:CYS91 4.8 24.9 1.0
CD A:GLU95 4.8 40.6 1.0
O A:LYS88 4.9 32.4 1.0
CB A:GLU92 4.9 31.4 1.0

Mercury binding site 3 out of 4 in 1xma

Go back to Mercury Binding Sites List in 1xma
Mercury binding site 3 out of 4 in the Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg115

b:42.8
occ:0.50
NZ B:LYS36 2.2 37.5 1.0
OE1 B:GLU21 3.0 42.9 1.0
CE B:LYS36 3.0 32.1 1.0
CD B:GLU21 3.7 38.4 1.0
OE2 B:GLU21 3.8 40.0 1.0
CD B:LYS36 4.4 32.7 1.0
CG B:GLU21 4.9 34.7 1.0

Mercury binding site 4 out of 4 in 1xma

Go back to Mercury Binding Sites List in 1xma
Mercury binding site 4 out of 4 in the Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg116

b:39.8
occ:0.40
N B:VAL1 2.8 34.5 1.0
CA B:VAL1 4.2 34.0 1.0
CD2 B:LEU40 4.4 21.1 1.0

Reference:

H.Yang, L.Chen, D.Lee, J.Habel, J.Nguyen, S.-H.Chang, I.Kataeva, H.Xu, J.Chang, M.Zhao, P.Horanyi, Q.Florence, W.Zhou, W.Tempel, D.Lin, J.Praissman, H.Zhang, W.B.Arendall Iii, J.S.Richardson, D.C.Richardson, L.Ljungdahl, Z.-J.Liu, J.P.Rose, B.-C.Wang, Southeast Collaboratory For Structural Genomics. Structure of A Transcriptional Regulator From Clostridium Thermocellum Cth-833 To Be Published.
Page generated: Wed Oct 28 18:40:54 2020

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