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Mercury in PDB 4jkn: Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A

Enzymatic activity of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A

All present enzymatic activity of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A:
1.20.9.1;

Protein crystallography data

The structure of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A, PDB code: 4jkn was solved by A.P.Zampino, F.M.Masters, E.L.Bladholm, S.B.Berry, M.J.Panzner, C.J.Ziegler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.66 / 1.54
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.483, 79.228, 109.576, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 23.9

Mercury Binding Sites:

The binding sites of Mercury atom in the Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A (pdb code 4jkn). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 6 binding sites of Mercury where determined in the Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A, PDB code: 4jkn:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 in 4jkn

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Mercury binding site 1 out of 6 in the Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg201

b:15.3
occ:0.91
ND1 A:HIS117 2.2 12.5 1.0
SG A:CYS112 2.2 13.7 1.0
ND1 A:HIS46 2.2 14.6 1.0
HA A:HIS46 2.7 12.8 1.0
O A:GLY45 2.7 14.0 1.0
HB3 A:HIS117 3.0 17.9 1.0
SD A:MET121 3.1 13.5 1.0
HB3 A:PHE114 3.1 18.5 1.0
CG A:HIS117 3.1 13.3 1.0
CE1 A:HIS46 3.2 15.6 1.0
CE1 A:HIS117 3.2 19.3 1.0
HB3 A:CYS112 3.2 13.6 1.0
HE1 A:HIS46 3.3 18.8 1.0
HB2 A:HIS117 3.3 17.9 1.0
CG A:HIS46 3.3 10.3 1.0
CB A:CYS112 3.3 11.3 1.0
CB A:HIS117 3.3 14.9 1.0
HE1 A:HIS117 3.4 23.2 1.0
CA A:HIS46 3.5 10.7 1.0
HB2 A:CYS112 3.5 13.6 1.0
HB3 A:HIS46 3.6 13.8 1.0
HB2 A:PHE114 3.7 18.5 1.0
CB A:HIS46 3.7 11.5 1.0
C A:GLY45 3.7 11.4 1.0
HE1 A:MET121 3.8 14.0 1.0
CB A:PHE114 3.8 15.4 1.0
CE A:MET121 3.9 11.7 1.0
N A:HIS46 4.0 10.8 1.0
H A:PHE114 4.1 13.3 1.0
HE2 A:MET121 4.1 14.0 1.0
H A:ASN47 4.2 18.4 1.0
CD2 A:HIS117 4.3 17.0 1.0
NE2 A:HIS46 4.3 15.9 1.0
NE2 A:HIS117 4.3 14.3 1.0
CD2 A:HIS46 4.4 15.1 1.0
CG A:MET121 4.4 12.0 1.0
HB2 A:MET121 4.5 17.9 1.0
HG3 A:MET121 4.6 14.4 1.0
HB2 A:HIS46 4.6 13.8 1.0
HB3 A:MET121 4.7 17.9 1.0
CG A:PHE114 4.7 13.3 1.0
C A:HIS46 4.7 13.8 1.0
CA A:CYS112 4.7 11.1 1.0
N A:ASN47 4.7 15.3 1.0
CB A:MET121 4.8 14.9 1.0
N A:PHE114 4.8 11.1 1.0
HE3 A:MET121 4.8 14.0 1.0
H A:HIS46 4.8 13.0 1.0
CA A:HIS117 4.8 12.7 1.0
HA A:MET13 4.9 16.9 1.0
CA A:PHE114 4.9 16.7 1.0
HD1 A:PHE114 5.0 18.6 1.0

Mercury binding site 2 out of 6 in 4jkn

Go back to Mercury Binding Sites List in 4jkn
Mercury binding site 2 out of 6 in the Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg202

b:52.3
occ:0.20
HG A:HG202 0.0 52.3 0.2
O A:HOH347 2.5 25.3 1.0
SD A:MET56 2.5 13.0 1.0
O A:HOH409 2.6 23.3 1.0
HG A:HG202 2.6 65.3 0.1
O A:HOH305 2.8 18.8 1.0
HE2 A:MET56 3.0 19.8 1.0
HB3 A:MET56 3.1 16.6 1.0
HG2 A:MET56 3.2 17.8 1.0
CE A:MET56 3.2 16.5 1.0
CG A:MET56 3.3 14.8 1.0
HE1 A:MET56 3.4 19.8 1.0
CB A:MET56 3.6 13.8 1.0
HE1 A:MET109 3.9 20.3 1.0
HG3 A:MET109 4.0 18.4 1.0
HB2 A:MET56 4.0 16.6 1.0
HE3 A:MET56 4.1 19.8 1.0
O B:HOH362 4.1 34.5 1.0
HG3 A:MET56 4.2 17.8 1.0
O A:HOH340 4.2 13.3 1.0
O A:HOH413 4.7 39.5 1.0
O A:HOH333 4.8 21.8 1.0
O A:ALA53 4.8 16.0 1.0
HG3 B:GLN57 4.8 25.6 1.0
HE2 B:LYS122 4.8 23.0 1.0
H A:GLN57 4.9 14.3 1.0
CE A:MET109 4.9 16.9 1.0
HB2 A:GLN57 4.9 15.8 1.0
CG A:MET109 4.9 15.4 1.0
HE3 B:MET56 4.9 25.7 1.0
CA A:MET56 5.0 14.6 1.0
N A:GLN57 5.0 11.9 1.0
HG3 A:LYS122 5.0 16.4 0.5

Mercury binding site 3 out of 6 in 4jkn

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Mercury binding site 3 out of 6 in the Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg202

b:65.3
occ:0.15
HG A:HG202 0.0 65.3 0.1
O A:HOH340 2.3 13.3 1.0
HG A:HG202 2.6 52.3 0.2
O B:HOH362 2.7 34.5 1.0
HE3 B:MET56 2.7 25.7 1.0
O A:HOH305 3.1 18.8 1.0
HB2 B:GLN57 3.2 21.8 1.0
O A:HOH347 3.3 25.3 1.0
HB2 A:GLN57 3.3 15.8 1.0
CE B:MET56 3.3 21.4 1.0
HE1 B:MET56 3.4 25.7 1.0
HE2 B:MET56 3.4 25.7 1.0
HB3 A:MET56 3.4 16.6 1.0
H A:GLN57 3.7 14.3 1.0
HG3 B:GLN57 3.8 25.6 1.0
O A:ALA53 4.0 16.0 1.0
CB B:GLN57 4.1 18.1 1.0
CB A:GLN57 4.2 13.1 1.0
N A:GLN57 4.2 11.9 1.0
CB A:MET56 4.3 13.8 1.0
CG B:GLN57 4.3 21.4 1.0
O B:HOH303 4.3 11.3 1.0
HG2 A:MET56 4.3 17.8 1.0
HG2 B:GLN57 4.4 25.6 1.0
HA B:GLN57 4.4 16.2 1.0
HB3 A:GLN57 4.5 15.8 1.0
O A:HOH409 4.6 23.3 1.0
H B:GLN57 4.6 17.4 1.0
CA A:GLN57 4.6 12.4 1.0
CG A:MET56 4.6 14.8 1.0
HA A:GLN57 4.7 14.8 1.0
HB3 B:MET56 4.7 16.4 1.0
CA B:GLN57 4.7 13.5 1.0
SD A:MET56 4.7 13.0 1.0
HB3 B:GLN57 4.8 21.8 1.0
N B:GLN57 4.8 14.5 1.0
OE1 A:GLN57 4.8 16.8 1.0
HB2 A:MET56 4.9 16.6 1.0
H A:MET56 4.9 16.7 1.0
HE2 B:LYS122 4.9 23.0 1.0
HG2 B:MET56 4.9 23.0 1.0
SD B:MET56 5.0 15.3 1.0
C A:MET56 5.0 17.0 1.0

Mercury binding site 4 out of 6 in 4jkn

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Mercury binding site 4 out of 6 in the Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg201

b:15.1
occ:0.79
ND1 B:HIS46 2.1 11.4 1.0
ND1 B:HIS117 2.1 15.8 1.0
SG B:CYS112 2.2 12.3 1.0
HA B:HIS46 2.6 11.2 1.0
O B:GLY45 2.7 11.9 1.0
HG B:CYS112 3.0 14.8 1.0
HB3 B:PHE114 3.1 18.0 1.0
SD B:MET121 3.1 13.1 1.0
CE1 B:HIS46 3.1 13.3 1.0
CG B:HIS117 3.1 10.7 1.0
CE1 B:HIS117 3.1 17.8 1.0
HB3 B:HIS117 3.1 12.8 1.0
CG B:HIS46 3.1 16.1 1.0
HB3 B:CYS112 3.2 15.2 1.0
HE1 B:HIS46 3.3 16.0 1.0
CB B:CYS112 3.3 12.6 1.0
HE1 B:HIS117 3.3 21.3 1.0
CA B:HIS46 3.4 9.4 1.0
HB2 B:HIS117 3.4 12.8 1.0
CB B:HIS117 3.4 10.6 1.0
HB3 B:HIS46 3.4 18.9 1.0
HB2 B:CYS112 3.5 15.2 1.0
CB B:HIS46 3.5 15.7 1.0
HB2 B:PHE114 3.6 18.0 1.0
HE3 B:MET121 3.6 19.8 1.0
C B:GLY45 3.6 13.4 1.0
CB B:PHE114 3.8 15.0 1.0
CE B:MET121 3.9 16.5 1.0
N B:HIS46 3.9 11.9 1.0
HE1 B:MET121 4.0 19.8 1.0
H B:PHE114 4.0 15.2 1.0
H B:ASN47 4.2 19.4 1.0
NE2 B:HIS46 4.2 15.6 1.0
NE2 B:HIS117 4.2 16.7 1.0
CD2 B:HIS117 4.2 14.8 1.0
CD2 B:HIS46 4.3 15.5 1.0
HB2 B:MET121 4.5 15.7 1.0
HB2 B:HIS46 4.5 18.9 1.0
CG B:MET121 4.5 12.5 1.0
HB3 B:MET121 4.5 15.7 1.0
CG B:PHE114 4.6 14.6 1.0
C B:HIS46 4.6 13.7 1.0
CA B:CYS112 4.7 12.6 1.0
H B:HIS46 4.7 14.3 1.0
N B:ASN47 4.7 16.1 1.0
N B:PHE114 4.7 12.7 1.0
HE2 B:MET121 4.7 19.8 1.0
CB B:MET121 4.7 13.1 1.0
HG3 B:MET13 4.8 30.9 1.0
HG3 B:MET121 4.8 15.0 1.0
CA B:PHE114 4.9 16.5 1.0
HD1 B:PHE114 4.9 14.6 1.0
CA B:HIS117 4.9 12.2 1.0
HE2 B:HIS46 5.0 18.7 1.0

Mercury binding site 5 out of 6 in 4jkn

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Mercury binding site 5 out of 6 in the Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg201

b:16.5
occ:0.77
ND1 C:HIS117 2.1 13.7 1.0
ND1 C:HIS46 2.2 10.6 1.0
SG C:CYS112 2.3 15.7 1.0
HA C:HIS46 2.6 18.4 1.0
O C:GLY45 2.7 15.0 1.0
HB3 C:HIS117 3.0 17.4 1.0
CG C:HIS117 3.0 13.7 1.0
SD C:MET121 3.1 13.2 1.0
HB3 C:PHE114 3.1 18.2 1.0
CE1 C:HIS46 3.1 12.8 1.0
CE1 C:HIS117 3.2 13.9 1.0
HB3 C:CYS112 3.2 24.9 1.0
CG C:HIS46 3.2 14.9 1.0
HB2 C:HIS117 3.2 17.4 1.0
HE1 C:HIS46 3.3 15.3 1.0
CB C:CYS112 3.3 20.8 1.0
CB C:HIS117 3.3 14.5 1.0
HE1 C:HIS117 3.4 16.7 1.0
CA C:HIS46 3.4 15.3 1.0
HB2 C:CYS112 3.5 24.9 1.0
HB3 C:HIS46 3.5 22.6 1.0
CB C:HIS46 3.6 18.8 1.0
HB2 C:PHE114 3.6 18.2 1.0
HE3 C:MET121 3.6 15.9 1.0
C C:GLY45 3.7 11.4 1.0
CB C:PHE114 3.8 15.2 1.0
CE C:MET121 3.8 13.2 1.0
HE1 C:MET121 3.9 15.9 1.0
N C:HIS46 4.0 13.3 1.0
H C:PHE114 4.2 17.1 1.0
H C:ASN47 4.2 13.7 1.0
CD2 C:HIS117 4.2 16.4 1.0
NE2 C:HIS117 4.2 18.4 1.0
NE2 C:HIS46 4.3 11.5 1.0
CD2 C:HIS46 4.3 11.6 1.0
CG C:MET121 4.5 13.6 1.0
HB2 C:MET121 4.5 15.9 1.0
HB2 C:HIS46 4.5 22.6 1.0
HB3 C:MET121 4.6 15.9 1.0
HG3 C:MET13 4.6 23.7 1.0
C C:HIS46 4.6 12.3 1.0
CG C:PHE114 4.6 15.0 1.0
N C:ASN47 4.7 11.4 1.0
HG3 C:MET121 4.7 16.3 1.0
CA C:CYS112 4.7 14.8 1.0
HE2 C:MET121 4.7 15.9 1.0
CB C:MET121 4.8 13.3 1.0
N C:PHE114 4.8 14.3 1.0
H C:HIS46 4.8 15.9 1.0
CA C:HIS117 4.8 17.5 1.0
CA C:PHE114 4.9 13.9 1.0
HD1 C:PHE114 5.0 17.8 1.0

Mercury binding site 6 out of 6 in 4jkn

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Mercury binding site 6 out of 6 in the Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg201

b:13.0
occ:0.89
ND1 D:HIS46 2.2 8.2 1.0
ND1 D:HIS117 2.2 9.4 1.0
SG D:CYS112 2.3 11.4 1.0
HA D:HIS46 2.7 10.5 1.0
O D:GLY45 2.8 8.3 1.0
HB3 D:HIS117 3.0 13.7 1.0
HB3 D:PHE114 3.0 11.0 1.0
SD D:MET121 3.0 13.5 1.0
CG D:HIS117 3.1 11.2 1.0
CG D:HIS46 3.1 8.3 1.0
HB3 D:HIS46 3.1 12.9 1.0
CE1 D:HIS117 3.2 10.0 1.0
CE1 D:HIS46 3.2 10.1 1.0
HB3 D:CYS112 3.3 28.1 1.0
CB D:CYS112 3.3 23.4 1.0
HB2 D:HIS117 3.3 13.7 1.0
CB D:HIS117 3.3 11.4 1.0
CB D:HIS46 3.3 10.8 1.0
CA D:HIS46 3.4 8.8 1.0
HB2 D:CYS112 3.4 28.1 1.0
HE1 D:HIS117 3.5 12.0 1.0
HE1 D:HIS46 3.5 12.1 1.0
HB2 D:PHE114 3.5 11.0 1.0
HE1 D:MET121 3.5 11.0 1.0
CB D:PHE114 3.7 9.2 1.0
CE D:MET121 3.8 9.2 1.0
C D:GLY45 3.8 10.9 1.0
HE2 D:MET121 3.9 11.0 1.0
N D:HIS46 4.0 8.8 1.0
H D:PHE114 4.1 16.8 1.0
H D:ASN47 4.2 12.5 1.0
CD2 D:HIS117 4.2 10.5 1.0
CD2 D:HIS46 4.3 8.8 1.0
HB2 D:HIS46 4.3 12.9 1.0
NE2 D:HIS117 4.3 12.3 1.0
NE2 D:HIS46 4.3 13.1 1.0
HB2 D:MET121 4.4 10.7 1.0
CG D:PHE114 4.5 9.9 1.0
CG D:MET121 4.5 14.4 1.0
HG3 D:MET121 4.7 17.3 1.0
HE3 D:MET121 4.7 11.0 1.0
C D:HIS46 4.7 9.5 1.0
CA D:CYS112 4.7 13.2 1.0
N D:ASN47 4.8 10.4 1.0
N D:PHE114 4.8 14.0 1.0
HD1 D:PHE114 4.8 12.6 1.0
H D:HIS46 4.8 10.5 1.0
CB D:MET121 4.8 8.9 1.0
HA D:MET13 4.9 19.6 0.5
CA D:PHE114 4.9 12.3 1.0
HB3 D:MET121 4.9 10.7 1.0
HA D:MET13 4.9 19.6 0.5
CA D:HIS117 4.9 9.4 1.0
CD1 D:PHE114 5.0 10.2 1.0
HA D:CYS112 5.0 15.9 1.0

Reference:

A.P.Zampino, F.M.Masters, E.L.Bladholm, S.B.Berry, M.J.Panzner, C.J.Ziegler. Mercury Metallated Pseudomonas Aeruginosa Azurin at 1.54 A To Be Published.
Page generated: Sun Dec 13 19:11:17 2020

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