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Mercury in PDB 1g8k: Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis

Protein crystallography data

The structure of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis, PDB code: 1g8k was solved by P.J.Ellis, T.Conrads, R.Hille, P.Kuhn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 17.80 / 1.64
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 90.740, 109.520, 117.640, 97.71, 90.00, 96.43
R / Rfree (%) 15.4 / 17.9

Other elements in 1g8k:

The structure of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis also contains other interesting chemical elements:

Molybdenum (Mo) 4 atoms
Iron (Fe) 20 atoms
Calcium (Ca) 8 atoms

Mercury Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Mercury atom in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis (pdb code 1g8k). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 12 binding sites of Mercury where determined in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis, PDB code: 1g8k:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 12 in 1g8k

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Mercury binding site 1 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg6005

b:18.8
occ:0.67
 OE1 A:GLN397 2.1 25.7 1.0
SG A:CYS204 2.3 14.5 1.0
CD A:GLN397 2.8 23.5 1.0
NE2 A:GLN397 2.9 20.9 1.0
CB A:CYS204 2.9 16.2 1.0
OH A:TYR383 3.1 14.7 1.0
CA A:CYS204 3.3 15.6 1.0
O A:GLU203 3.3 14.1 1.0
CE1 A:TYR383 3.5 15.2 1.0
CZ A:TYR383 3.7 14.3 1.0
CG2 A:THR207 3.7 14.7 1.0
C A:GLU203 3.9 15.2 1.0
N A:CYS204 4.0 14.5 1.0
CG A:GLN397 4.3 20.8 1.0
CG A:ARG419 4.3 14.6 1.0
CD1 A:ILE388 4.4 14.9 1.0
CG1 A:ILE388 4.4 14.6 1.0
C A:CYS204 4.5 15.8 1.0
CD A:ARG419 4.5 15.4 1.0
CB A:GLU214 4.6 17.5 1.0
CD1 A:TYR383 4.7 14.0 1.0
CB A:THR207 4.8 14.2 1.0
O A:CYS204 4.8 16.1 1.0
O A:HOH7140 4.9 16.4 1.0
CE2 A:TYR383 5.0 12.9 1.0
CB A:GLU203 5.0 14.8 1.0

Mercury binding site 2 out of 12 in 1g8k

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Mercury binding site 2 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg6009

b:29.6
occ:0.37
 CB A:CYS735 2.5 20.4 1.0
O A:HOH7034 2.6 12.7 1.0
O A:VAL740 2.6 18.0 1.0
C A:CYS735 3.3 17.5 1.0
N A:LYS736 3.3 18.0 1.0
CA A:CYS735 3.6 18.0 1.0
SG A:CYS735 3.7 25.5 1.0
O A:CYS735 3.8 16.7 1.0
C A:VAL740 3.8 16.4 1.0
CA A:LYS736 4.0 18.3 1.0
O A:PRO732 4.0 19.0 1.0
CG A:LYS736 4.1 20.0 1.0
CA A:THR741 4.1 14.2 1.0
CG A:PRO761 4.3 12.3 1.0
CB A:THR741 4.3 15.6 1.0
OG1 A:THR741 4.4 18.1 1.0
N A:THR741 4.4 15.4 1.0
N A:CYS735 4.6 16.8 1.0
CB A:LYS736 4.6 19.0 1.0
CB A:PRO761 4.8 12.3 1.0
N A:VAL740 4.8 15.9 1.0
C A:PRO732 4.9 17.8 1.0
CA A:PRO732 4.9 17.4 1.0
CA A:VAL740 4.9 16.5 1.0

Mercury binding site 3 out of 12 in 1g8k

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Mercury binding site 3 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg6001

b:14.1
occ:0.64
 SG B:CYS95 2.2 14.3 1.0
O B:HOH6059 2.5 25.8 1.0
O A:ARG822 2.6 13.6 1.0
CB B:CYS95 3.3 11.9 1.0
CE1 A:TYR236 3.7 11.9 1.0
C A:ARG822 3.7 11.9 1.0
CB A:PRO282 4.0 11.9 1.0
O B:HOH6012 4.1 16.6 1.0
O B:PHE82 4.2 13.3 1.0
CD1 A:TYR236 4.4 11.8 1.0
CG A:PRO282 4.5 10.6 1.0
CA A:ARG822 4.5 11.5 1.0
CZ A:TYR236 4.5 11.9 1.0
OH A:TYR236 4.5 13.2 1.0
N A:PHE824 4.5 14.8 1.0
CA B:CYS95 4.5 12.1 1.0
C B:CYS95 4.6 11.7 1.0
N A:ARG823 4.7 12.6 1.0
CB A:ARG822 4.8 9.5 1.0
CA A:ARG823 4.8 13.8 1.0
O B:CYS95 4.9 12.2 1.0
N B:GLY96 4.9 11.5 1.0

Mercury binding site 4 out of 12 in 1g8k

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Mercury binding site 4 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg6006

b:15.2
occ:0.67
 OE1 C:GLN397 2.1 19.6 1.0
SG C:CYS204 2.2 11.4 1.0
CD C:GLN397 2.8 18.5 1.0
CB C:CYS204 2.9 11.8 1.0
NE2 C:GLN397 2.9 14.8 1.0
OH C:TYR383 3.0 14.2 1.0
CA C:CYS204 3.3 11.7 1.0
O C:GLU203 3.3 9.7 1.0
CE1 C:TYR383 3.5 13.5 1.0
CG2 C:THR207 3.6 10.9 1.0
CZ C:TYR383 3.6 13.0 1.0
C C:GLU203 3.9 10.8 1.0
N C:CYS204 4.0 9.1 1.0
CG C:GLN397 4.2 16.9 1.0
CG C:ARG419 4.3 12.8 1.0
C C:CYS204 4.4 11.3 1.0
CG1 C:ILE388 4.5 11.3 1.0
CD1 C:ILE388 4.5 11.4 1.0
CB C:GLU214 4.5 11.6 1.0
CD C:ARG419 4.6 14.0 1.0
CB C:THR207 4.7 11.4 1.0
CD1 C:TYR383 4.8 12.2 1.0
O C:HOH7131 4.8 15.6 1.0
O C:CYS204 4.8 12.3 1.0
CE2 C:TYR383 4.9 12.4 1.0

Mercury binding site 5 out of 12 in 1g8k

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Mercury binding site 5 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg6010

b:32.8
occ:0.37
 O C:HOH7830 2.1 26.4 1.0
CB C:CYS735 2.5 23.6 1.0
O C:VAL740 2.7 19.5 1.0
O C:HOH7112 2.7 15.0 1.0
N C:LYS736 3.4 23.5 1.0
C C:CYS735 3.4 22.6 1.0
CA C:CYS735 3.6 22.6 1.0
SG C:CYS735 3.7 27.2 1.0
C C:VAL740 3.9 17.8 1.0
O C:PRO732 3.9 21.2 1.0
O C:CYS735 4.0 22.5 1.0
CG C:LYS736 4.0 24.3 1.0
CA C:LYS736 4.0 23.8 1.0
CA C:THR741 4.2 16.5 1.0
CG C:PRO761 4.3 12.1 1.0
CB C:THR741 4.4 16.9 1.0
OG1 C:THR741 4.4 18.8 1.0
N C:THR741 4.5 16.9 1.0
CB C:LYS736 4.6 24.2 1.0
N C:CYS735 4.6 21.4 1.0
NZ C:LYS736 4.6 24.0 0.0
CB C:PRO761 4.7 11.7 1.0
CA C:PRO732 4.7 19.4 1.0
C C:PRO732 4.8 20.2 1.0
O C:HOH7691 4.8 39.1 1.0

Mercury binding site 6 out of 12 in 1g8k

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Mercury binding site 6 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg6002

b:14.4
occ:0.64
 SG D:CYS95 2.3 15.1 1.0
O D:HOH6076 2.4 23.7 1.0
O C:ARG822 2.7 13.2 1.0
CB D:CYS95 3.4 11.7 1.0
CE1 C:TYR236 3.7 10.5 1.0
C C:ARG822 3.8 13.9 1.0
CB C:PRO282 4.0 12.9 1.0
O D:HOH6023 4.1 19.5 1.0
O D:PHE82 4.3 14.2 1.0
CD1 C:TYR236 4.4 9.0 1.0
CZ C:TYR236 4.5 10.3 1.0
OH C:TYR236 4.5 12.6 1.0
CG C:PRO282 4.5 10.9 1.0
N C:PHE824 4.5 15.9 1.0
CA C:ARG822 4.5 12.3 1.0
CA D:CYS95 4.7 12.3 1.0
C D:CYS95 4.7 12.2 1.0
N C:ARG823 4.7 14.0 1.0
CA C:ARG823 4.8 15.1 1.0
CB C:ARG822 4.8 12.1 1.0
CD1 C:ILE286 4.9 14.1 1.0
N D:GLY96 5.0 12.0 1.0
O D:CYS95 5.0 12.9 1.0
CB C:PHE824 5.0 16.6 1.0

Mercury binding site 7 out of 12 in 1g8k

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Mercury binding site 7 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Hg6007

b:15.1
occ:0.67
 OE1 E:GLN397 2.1 17.0 1.0
SG E:CYS204 2.3 11.8 1.0
CD E:GLN397 2.7 13.7 1.0
NE2 E:GLN397 2.8 12.5 1.0
OH E:TYR383 2.9 11.1 1.0
CB E:CYS204 3.1 12.6 1.0
CA E:CYS204 3.3 11.0 1.0
O E:GLU203 3.4 12.3 1.0
CE1 E:TYR383 3.4 10.3 1.0
CZ E:TYR383 3.6 10.6 1.0
CG2 E:THR207 3.7 11.4 1.0
C E:GLU203 3.9 12.6 1.0
N E:CYS204 4.0 11.8 1.0
CG E:ARG419 4.2 10.8 1.0
CG E:GLN397 4.2 14.9 1.0
CD E:ARG419 4.5 12.4 1.0
CG1 E:ILE388 4.5 9.8 1.0
CD1 E:ILE388 4.5 10.1 1.0
C E:CYS204 4.5 11.9 1.0
CB E:GLU214 4.5 13.4 1.0
CD1 E:TYR383 4.7 10.1 1.0
CB E:THR207 4.8 12.3 1.0
CE2 E:TYR383 4.9 10.3 1.0
O E:HOH7176 4.9 16.9 1.0
O E:CYS204 4.9 13.3 1.0

Mercury binding site 8 out of 12 in 1g8k

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Mercury binding site 8 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Hg6011

b:29.2
occ:0.37
 CB E:CYS735 2.5 19.8 1.0
O E:VAL740 2.7 18.8 1.0
O E:HOH7118 2.9 15.2 1.0
C E:CYS735 3.4 19.4 1.0
N E:LYS736 3.4 20.3 1.0
CA E:CYS735 3.6 18.6 1.0
SG E:CYS735 3.7 24.2 1.0
CG E:LYS736 3.9 26.8 1.0
C E:VAL740 3.9 17.9 1.0
O E:CYS735 3.9 18.6 1.0
O E:PRO732 3.9 19.0 1.0
CA E:LYS736 4.0 20.9 1.0
CA E:THR741 4.2 15.9 1.0
CG E:PRO761 4.4 12.1 1.0
CB E:THR741 4.4 16.6 1.0
OG1 E:THR741 4.4 18.4 1.0
N E:THR741 4.5 16.2 1.0
CB E:LYS736 4.6 23.3 1.0
N E:CYS735 4.6 16.7 1.0
CB E:PRO761 4.7 11.6 1.0
C E:PRO732 4.8 17.7 1.0
CA E:PRO732 4.9 17.5 1.0
O E:HOH7585 4.9 34.4 1.0
N E:VAL740 4.9 18.1 1.0

Mercury binding site 9 out of 12 in 1g8k

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Mercury binding site 9 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Hg6003

b:13.2
occ:0.64
 O E:HOH7484 2.2 3.5 1.0
SG F:CYS95 2.2 13.2 1.0
O E:ARG822 2.8 10.5 1.0
CB F:CYS95 3.3 13.0 1.0
CE1 E:TYR236 3.7 11.1 1.0
C E:ARG822 3.8 11.6 1.0
CB E:PRO282 4.1 10.0 1.0
O F:PHE82 4.1 12.7 1.0
O F:HOH6017 4.1 17.8 1.0
CD1 E:TYR236 4.3 10.2 1.0
CZ E:TYR236 4.5 8.7 1.0
N E:PHE824 4.5 13.4 1.0
OH E:TYR236 4.5 11.9 1.0
CG E:PRO282 4.5 10.1 1.0
CA F:CYS95 4.6 12.0 1.0
CA E:ARG822 4.6 11.0 1.0
C F:CYS95 4.6 11.6 1.0
N E:ARG823 4.7 11.9 1.0
CB E:ARG822 4.8 9.4 1.0
CA E:ARG823 4.8 12.9 1.0
O F:CYS95 4.9 12.8 1.0
N F:GLY96 4.9 11.4 1.0
CB E:PHE824 5.0 13.7 1.0
CD1 E:ILE286 5.0 12.0 1.0

Mercury binding site 10 out of 12 in 1g8k

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Mercury binding site 10 out of 12 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 10 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Hg6008

b:18.0
occ:0.67
 OE1 G:GLN397 1.8 24.8 1.0
SG G:CYS204 2.2 14.7 1.0
CD G:GLN397 2.6 21.3 1.0
NE2 G:GLN397 2.9 18.6 1.0
OH G:TYR383 2.9 14.4 1.0
CB G:CYS204 3.0 15.7 1.0
CA G:CYS204 3.3 14.5 1.0
O G:GLU203 3.4 12.0 1.0
CE1 G:TYR383 3.5 13.4 1.0
CZ G:TYR383 3.6 13.8 1.0
CG2 G:THR207 3.7 12.3 1.0
C G:GLU203 3.9 13.2 1.0
N G:CYS204 4.0 13.4 1.0
CG G:GLN397 4.1 19.7 1.0
CG G:ARG419 4.2 14.4 1.0
CG1 G:ILE388 4.5 12.5 1.0
CD1 G:ILE388 4.5 13.1 1.0
CB G:GLU214 4.5 14.9 1.0
CD G:ARG419 4.5 16.0 1.0
C G:CYS204 4.5 14.9 1.0
CD1 G:TYR383 4.7 13.0 1.0
CB G:THR207 4.8 13.2 1.0
O G:CYS204 4.9 14.3 1.0
O G:HOH7212 4.9 18.1 1.0
CE2 G:TYR383 4.9 13.2 1.0
CB G:GLU203 5.0 14.7 1.0

Reference:

P.J.Ellis, T.Conrads, R.Hille, P.Kuhn. Crystal Structure of the 100 kDa Arsenite Oxidase From Alcaligenes Faecalis in Two Crystal Forms at 1.64 A and 2.03 A. Structure V. 9 125 2001.
ISSN: ISSN 0969-2126
PubMed: 11250197
DOI: 10.1016/S0969-2126(01)00566-4
Page generated: Sat Aug 10 23:51:57 2024

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