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Mercury in PDB 6nwh: Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.

Protein crystallography data

The structure of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor., PDB code: 6nwh was solved by T.S.Peat, J.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.21 / 2.03
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.168, 86.568, 119.812, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 20.6

Other elements in 6nwh:

The structure of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. (pdb code 6nwh). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 9 binding sites of Mercury where determined in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor., PDB code: 6nwh:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Mercury binding site 1 out of 9 in 6nwh

Go back to Mercury Binding Sites List in 6nwh
Mercury binding site 1 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg202

b:42.2
occ:0.50
 O A:HOH327 1.8 27.9 1.0
SG A:CYS109 2.6 28.5 1.0
O A:HOH398 2.9 24.4 1.0
O A:ASN107 3.2 27.4 1.0
CB A:CYS109 3.4 23.2 1.0
C A:SER108 3.4 21.5 1.0
O A:SER108 3.5 22.6 1.0
CE2 A:PHE53 3.6 24.6 1.0
N A:CYS109 3.7 20.5 1.0
C A:ASN107 3.9 26.0 1.0
CD2 A:PHE53 3.9 23.0 1.0
O A:THR106 3.9 26.1 1.0
CA A:SER108 4.0 23.4 1.0
CA A:CYS109 4.2 20.9 1.0
N A:SER108 4.2 24.8 1.0
CE A:MET72 4.5 17.6 1.0
CZ A:PHE53 4.6 24.1 1.0
C A:THR106 4.6 26.8 1.0
O A:HOH304 4.7 25.4 1.0
SD A:MET72 4.9 16.8 1.0
CA A:ASN107 4.9 26.2 1.0

Mercury binding site 2 out of 9 in 6nwh

Go back to Mercury Binding Sites List in 6nwh
Mercury binding site 2 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg203

b:31.1
occ:0.50
 SG A:CYS20 2.5 28.2 1.0
SG A:CYS127 2.7 39.2 1.0
CD2 A:LEU4 2.8 30.6 1.0
HG A:HG206 3.0 47.7 0.4
OG A:SER130 3.1 20.6 0.5
CB A:CYS20 3.2 20.5 1.0
CA A:CYS127 3.3 26.0 1.0
CB A:CYS127 3.3 29.1 1.0
N A:GLY21 3.5 15.4 1.0
C A:CYS20 3.7 17.1 1.0
CB A:SER130 3.7 22.1 0.5
CB A:SER130 3.8 23.7 0.5
O A:CYS127 3.9 26.8 1.0
OG A:SER130 4.0 23.4 0.5
CA A:CYS20 4.1 17.9 1.0
C A:CYS127 4.1 24.5 1.0
CA A:GLY21 4.2 15.2 1.0
CG A:LEU4 4.2 30.9 1.0
O A:CYS20 4.2 15.9 1.0
N A:CYS127 4.4 25.3 1.0
C A:GLY21 4.4 14.2 1.0
CD1 A:LEU4 4.5 34.2 1.0
O A:GLY21 4.5 12.8 1.0
HG A:HG205 4.9 72.9 0.3
CG1 A:ILE22 4.9 17.0 1.0
O A:MET126 4.9 21.1 1.0
O A:TRP88 5.0 12.0 1.0

Mercury binding site 3 out of 9 in 6nwh

Go back to Mercury Binding Sites List in 6nwh
Mercury binding site 3 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg204

b:39.0
occ:0.40
 O A:HOH390 1.9 23.3 1.0
O A:CYS113 2.9 29.2 1.0
SG A:CYS113 3.0 39.1 1.0
CB A:CYS113 3.2 34.7 1.0
C A:CYS113 3.2 32.4 1.0
O A:GLU114 3.2 34.4 1.0
O A:GLY63 3.4 22.8 1.0
CA A:CYS113 3.5 30.8 1.0
OH A:TYR43 3.6 31.3 1.0
CA A:GLY63 3.7 21.6 1.0
N A:CYS113 3.9 25.4 1.0
CE1 A:TYR43 4.0 24.4 1.0
C A:GLY63 4.0 21.2 1.0
CG A:PRO120 4.0 26.4 1.0
C A:GLU114 4.0 43.0 1.0
N A:GLU114 4.1 35.9 1.0
CZ A:TYR43 4.3 24.9 1.0
CB A:SER117 4.5 32.4 1.0
CD A:PRO120 4.6 26.2 1.0
CA A:GLU114 4.7 41.3 1.0
N A:GLU115 4.8 44.6 1.0
N A:GLY63 5.0 20.8 1.0
CA A:GLU115 5.0 49.8 1.0

Mercury binding site 4 out of 9 in 6nwh

Go back to Mercury Binding Sites List in 6nwh
Mercury binding site 4 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg205

b:72.9
occ:0.30
 OG A:SER130 2.8 23.4 0.5
CB A:CYS20 3.3 20.5 1.0
SG A:CYS20 3.3 28.2 1.0
O A:MET126 3.5 21.1 1.0
CD1 A:ILE89 3.7 20.3 1.0
CB A:MET126 3.8 20.2 1.0
CD2 A:LEU143 3.8 23.9 1.0
C A:MET126 3.9 22.2 1.0
CG1 A:VAL17 4.0 17.2 1.0
OH A:TYR8 4.0 23.0 1.0
CE2 A:TYR8 4.0 20.3 1.0
CB A:SER130 4.2 23.7 0.5
CE A:MET126 4.3 21.4 1.0
CB A:SER130 4.3 22.1 0.5
CA A:MET126 4.4 20.8 1.0
CD1 A:LEU143 4.4 24.1 1.0
CZ A:TYR8 4.4 20.9 1.0
N A:CYS127 4.5 25.3 1.0
O A:GLU19 4.5 13.4 1.0
CA A:CYS20 4.6 17.9 1.0
N A:CYS20 4.7 16.2 1.0
CG A:LEU143 4.8 22.8 1.0
CG A:MET126 4.8 20.9 1.0
CG2 A:ILE89 4.8 16.0 1.0
C A:GLU19 4.8 15.8 1.0
HG A:HG203 4.9 31.1 0.5
HG A:HG206 4.9 47.7 0.4
CA A:CYS127 4.9 26.0 1.0

Mercury binding site 5 out of 9 in 6nwh

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Mercury binding site 5 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg206

b:47.7
occ:0.40
 HG A:HG203 3.0 31.1 0.5
O A:TRP88 3.1 12.0 1.0
CB A:CYS127 3.1 29.1 1.0
CD1 A:ILE89 3.2 20.3 1.0
CB A:CYS20 3.4 20.5 1.0
CA A:CYS127 3.6 26.0 1.0
SG A:CYS127 3.6 39.2 1.0
O A:GLY21 3.7 12.8 1.0
N A:GLY21 3.8 15.4 1.0
N A:CYS127 3.9 25.3 1.0
O A:ILE123 3.9 22.2 1.0
C A:TRP88 4.1 12.9 1.0
SG A:CYS20 4.2 28.2 1.0
N A:TRP88 4.2 13.3 1.0
CD2 A:TYR87 4.3 23.1 1.0
CG1 A:ILE89 4.3 19.3 1.0
CA A:CYS20 4.3 17.9 1.0
CG2 A:ILE123 4.4 20.9 1.0
CB A:TYR87 4.5 17.1 1.0
C A:CYS20 4.5 17.1 1.0
C A:GLY21 4.5 14.2 1.0
C A:MET126 4.8 22.2 1.0
CA A:GLY21 4.8 15.2 1.0
CA A:TRP88 4.8 13.0 1.0
CG A:TYR87 4.8 20.1 1.0
C A:ILE123 4.9 20.6 1.0
HG A:HG205 4.9 72.9 0.3
C A:TYR87 4.9 14.1 1.0
N A:ILE89 4.9 13.2 1.0
CA A:TYR87 5.0 15.0 1.0

Mercury binding site 6 out of 9 in 6nwh

Go back to Mercury Binding Sites List in 6nwh
Mercury binding site 6 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg202

b:21.8
occ:0.50
 SG B:CYS127 2.1 25.5 1.0
SG B:CYS20 2.3 31.5 0.7
SG B:CYS20 2.5 21.6 0.3
CB B:CYS20 3.1 22.5 0.7
CB B:CYS20 3.1 18.6 0.3
O B:TRP88 3.1 13.1 1.0
CB B:CYS127 3.2 22.2 1.0
CA B:CYS127 3.2 21.4 1.0
N B:CYS127 3.3 19.7 1.0
CA B:CYS20 3.7 17.7 0.3
CA B:CYS20 3.7 19.6 0.7
N B:GLY21 3.8 16.8 1.0
O B:ILE123 3.8 18.3 1.0
C B:MET126 4.0 19.9 1.0
C B:CYS20 4.1 17.3 0.3
C B:CYS20 4.1 18.3 0.7
O B:GLY21 4.2 13.6 1.0
C B:TRP88 4.2 14.3 1.0
CB B:MET126 4.4 19.2 1.0
O B:MET126 4.4 18.0 1.0
HG B:HG205 4.6 72.2 0.5
CD2 B:LEU4 4.7 22.1 1.0
CG2 B:ILE123 4.7 17.8 1.0
C B:CYS127 4.7 20.7 1.0
N B:TRP88 4.7 13.8 1.0
CB B:ILE89 4.7 18.1 1.0
C B:GLY21 4.8 15.4 1.0
CA B:MET126 4.8 19.2 1.0
CA B:GLY21 4.8 16.4 1.0
OG B:SER130 4.9 22.9 1.0
C B:ILE123 4.9 19.0 1.0
N B:ILE89 4.9 14.7 1.0
CA B:ILE89 4.9 15.3 1.0

Mercury binding site 7 out of 9 in 6nwh

Go back to Mercury Binding Sites List in 6nwh
Mercury binding site 7 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg203

b:26.9
occ:0.40
 O B:HOH400 1.9 19.1 1.0
SG B:CYS109 2.4 28.6 1.0
O B:THR106 2.9 22.0 1.0
O B:ASN107 3.2 21.4 1.0
SD B:MET72 3.3 19.3 1.0
CB B:CYS109 3.5 22.1 1.0
CE2 B:PHE53 3.6 32.4 1.0
C B:THR106 3.7 22.2 1.0
C B:ASN107 3.8 21.7 1.0
CE B:MET72 3.8 17.5 1.0
CZ B:PHE53 3.8 34.4 1.0
CA B:ASN107 4.0 23.2 1.0
CD1 B:LEU69 4.0 19.5 1.0
N B:ASN107 4.3 22.5 1.0
CG B:MET72 4.3 18.0 1.0
N B:CYS109 4.5 19.0 1.0
CA B:CYS109 4.5 20.5 1.0
CD2 B:PHE53 4.6 31.1 1.0
N B:SER108 4.7 19.3 1.0
CG B:LEU69 4.7 17.7 1.0
C B:SER108 4.7 18.1 1.0
CA B:THR106 4.8 21.7 1.0
CE1 B:PHE53 4.9 32.5 1.0

Mercury binding site 8 out of 9 in 6nwh

Go back to Mercury Binding Sites List in 6nwh
Mercury binding site 8 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg204

b:48.5
occ:0.40
 O B:HOH376 2.2 40.1 1.0
O B:CYS113 2.8 40.0 1.0
SG B:CYS113 2.9 47.0 1.0
CB B:CYS113 3.0 40.6 1.0
O B:GLU114 3.1 42.0 1.0
C B:CYS113 3.3 39.2 1.0
O B:GLY63 3.3 19.6 1.0
CA B:CYS113 3.5 37.7 1.0
N B:CYS113 3.7 31.0 1.0
CA B:GLY63 3.8 19.0 1.0
C B:GLU114 4.0 50.1 1.0
OH B:TYR43 4.0 29.1 1.0
C B:GLY63 4.0 18.3 1.0
CE1 B:TYR43 4.2 23.0 1.0
N B:GLU114 4.2 44.5 1.0
CG B:PRO120 4.3 28.7 1.0
CB B:SER117 4.5 42.1 1.0
CZ B:TYR43 4.6 23.4 1.0
CD B:PRO120 4.7 28.9 1.0
CA B:GLU114 4.8 50.4 1.0
N B:GLU115 4.8 52.4 1.0
CA B:GLU115 4.8 59.2 1.0
C B:ASN112 4.9 30.6 1.0

Mercury binding site 9 out of 9 in 6nwh

Go back to Mercury Binding Sites List in 6nwh
Mercury binding site 9 out of 9 in the Structures of the Transcriptional Regulator Bgar, A Lactose Sensor.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg205

b:72.2
occ:0.50
 SG B:CYS20 2.5 31.5 0.7
OG B:SER130 3.0 22.9 1.0
CB B:CYS20 3.1 18.6 0.3
CB B:CYS20 3.2 22.5 0.7
CG1 B:VAL17 3.4 15.1 1.0
CD2 B:LEU143 3.5 21.0 1.0
CE2 B:TYR8 3.6 19.6 1.0
O B:MET126 4.0 18.0 1.0
OH B:TYR8 4.0 19.8 1.0
CB B:MET126 4.1 19.2 1.0
CE B:MET126 4.1 20.0 1.0
CZ B:TYR8 4.2 19.3 1.0
CA B:CYS20 4.2 17.7 0.3
CD1 B:LEU143 4.2 21.6 1.0
SG B:CYS20 4.2 21.6 0.3
CA B:CYS20 4.2 19.6 0.7
O B:GLU19 4.2 16.1 1.0
N B:CYS20 4.4 16.8 0.3
CB B:SER130 4.4 21.9 1.0
C B:MET126 4.4 19.9 1.0
N B:CYS20 4.4 17.0 0.7
CG B:LEU143 4.4 20.7 1.0
CG1 B:ILE89 4.4 20.8 1.0
C B:GLU19 4.4 16.9 1.0
CD2 B:TYR8 4.6 18.9 1.0
HG B:HG202 4.6 21.8 0.5
CA B:MET126 4.7 19.2 1.0
CB B:VAL17 4.7 14.7 1.0
CG B:MET126 5.0 19.4 1.0

Reference:

J.Newman, K.Caron, T.Nebl, T.S.Peat. Structures of the Transcriptional Regulator Bgar, A Lactose Sensor. Acta Crystallogr D Struct V. 75 639 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31282473
DOI: 10.1107/S2059798319008131
Page generated: Sun Aug 11 07:29:51 2024

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