Atomistry » Mercury » PDB 6bzi-6rjj » 6bzi
Atomistry »
  Mercury »
    PDB 6bzi-6rjj »
      6bzi »

Mercury in PDB 6bzi: Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury

Enzymatic activity of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury

All present enzymatic activity of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury:
3.8.1.1;

Protein crystallography data

The structure of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury, PDB code: 6bzi was solved by A.H.Pang, S.Garneau-Tsodikova, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.00 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.722, 156.338, 216.134, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 25.6

Other elements in 6bzi:

The structure of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Mercury Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 33;

Binding sites:

The binding sites of Mercury atom in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury (pdb code 6bzi). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 33 binding sites of Mercury where determined in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury, PDB code: 6bzi:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 1 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


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 Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg602

b:18.1
occ:0.50
SG A:CYS369 2.5 25.1 1.0
OG1 A:THR323 3.1 23.2 1.0
CB A:CYS369 3.4 24.9 1.0
C A:CYS369 3.4 26.1 1.0
O A:CYS369 3.4 26.0 1.0
CB A:THR323 3.6 23.5 1.0
N A:LEU370 3.7 26.8 1.0
CG2 A:THR323 3.7 23.0 1.0
CG2 A:VAL373 3.9 21.5 1.0
CA A:CYS369 4.0 25.2 1.0
CA A:LEU370 4.0 26.9 1.0
CG1 A:VAL373 4.0 20.9 1.0
CD2 A:LEU370 4.4 29.5 1.0
ND2 A:ASN311 4.5 41.2 1.0
CB A:VAL373 4.6 21.2 1.0
CG A:LEU370 4.7 29.4 1.0
CB A:LEU370 4.9 28.1 1.0

Mercury binding site 2 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 2 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


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 Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg603

b:31.1
occ:0.50
SG A:CYS317 2.5 27.0 1.0
OD1 A:ASN311 2.6 41.7 1.0
O A:LEU318 2.7 21.6 1.0
CG A:ASN311 3.1 41.5 1.0
CG1 A:VAL312 3.3 36.5 1.0
ND2 A:ASN311 3.3 41.2 1.0
CB A:CYS317 3.4 24.1 1.0
N A:LEU318 3.5 21.9 1.0
O A:ASN311 3.6 39.7 1.0
C A:LEU318 3.6 21.5 1.0
CG1 A:VAL365 3.7 25.0 1.0
CA A:CYS317 3.8 23.1 1.0
C A:CYS317 3.8 22.4 1.0
C A:ASN311 4.0 40.6 1.0
CA A:LEU318 4.2 21.9 1.0
CB A:ASN311 4.3 42.7 1.0
N A:LEU319 4.5 21.2 1.0
CB A:VAL312 4.6 35.7 1.0
N A:VAL312 4.6 37.8 1.0
CA A:ASN311 4.6 42.9 1.0
CB A:VAL365 4.7 25.1 1.0
O A:CYS317 4.7 22.4 1.0
CA A:VAL312 4.8 35.8 1.0
CA A:LEU319 4.9 21.2 1.0

Mercury binding site 3 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 3 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg604

b:77.3
occ:0.50
SG A:CYS455 2.5 57.0 1.0
OE1 A:GLN378 3.3 39.6 1.0
CD A:GLN378 3.4 36.4 1.0
CB A:CYS455 3.7 47.8 1.0
NE2 A:GLN378 3.8 37.8 1.0
CG A:GLN378 3.9 33.6 1.0
NE2 A:GLN459 4.0 63.2 1.0
CB A:GLN378 4.7 31.0 1.0
OE1 A:GLN456 5.0 49.5 1.0

Mercury binding site 4 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 4 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg605

b:10.5
occ:0.50
SG A:CYS84 2.5 15.2 1.0
O A:CYS84 3.1 17.0 1.0
O A:GLY85 3.3 18.7 1.0
C A:CYS84 3.4 16.6 1.0
CB A:CYS84 3.5 15.7 1.0
C A:GLY85 3.6 18.9 1.0
O A:PRO72 3.6 22.9 1.0
CB A:PRO72 3.7 23.4 1.0
CG1 A:ILE76 3.7 16.9 1.0
N A:GLY85 3.9 17.4 1.0
CD1 A:ILE76 3.9 16.9 1.0
CA A:GLY85 4.0 18.0 1.0
CA A:CYS84 4.0 15.9 1.0
CA A:PRO72 4.2 23.5 1.0
C A:PRO72 4.2 22.9 1.0
N A:ILE86 4.3 20.4 1.0
N A:CYS84 4.6 15.6 1.0
CA A:ILE86 4.7 21.3 1.0

Mercury binding site 5 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 5 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg606

b:20.9
occ:0.50
NH1 A:ARG266 2.5 50.9 1.0
SG A:CYS196 2.5 24.7 1.0
OH A:TYR300 2.8 29.7 1.0
CZ A:ARG266 2.8 49.4 1.0
CB A:CYS196 3.1 25.7 1.0
CG A:PRO267 3.3 34.9 1.0
ND2 A:ASN262 3.3 29.4 1.0
NH2 A:ARG266 3.4 50.8 1.0
NE A:ARG266 3.5 48.3 1.0
CD A:PRO267 3.5 35.2 1.0
OD1 A:ASN262 3.6 29.0 1.0
CG A:ASN262 3.8 28.3 1.0
CZ A:TYR300 3.9 30.0 1.0
CD A:ARG266 3.9 46.2 1.0
CE1 A:TYR300 4.1 30.3 1.0
O A:HOH705 4.5 35.4 1.0
CA A:CYS196 4.5 26.3 1.0
N A:PRO267 4.6 35.2 1.0
O A:PRO267 4.7 33.2 1.0
CB A:PRO267 4.7 34.6 1.0
N A:CYS196 4.9 27.5 1.0
CG A:ARG266 5.0 43.4 1.0

Mercury binding site 6 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 6 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg607

b:30.0
occ:0.50
SG A:CYS254 2.6 30.2 1.0
OD1 A:ASN244 3.0 22.1 1.0
CB A:CYS254 3.0 24.0 1.0
CG A:ASN244 3.4 21.3 1.0
ND2 A:ASN244 3.4 21.5 1.0
N A:CYS254 3.5 20.1 1.0
CA A:CYS254 3.6 21.7 1.0
O A:VAL205 3.7 22.6 1.0
CB A:VAL205 3.7 21.3 1.0
C A:LEU253 3.8 19.1 1.0
O A:LEU253 3.9 18.9 1.0
N A:VAL205 4.1 20.6 1.0
O A:GLN252 4.2 17.9 1.0
CG2 A:VAL205 4.3 21.4 1.0
CA A:VAL205 4.3 21.5 1.0
C A:VAL205 4.4 22.4 1.0
O A:MET202 4.5 17.9 1.0
CB A:ASN244 4.6 21.3 1.0
CA A:LEU253 4.7 18.3 1.0
CG1 A:VAL205 4.7 21.5 1.0
CB A:PRO242 4.9 16.2 1.0
C A:GLN252 4.9 17.5 1.0

Mercury binding site 7 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 7 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg608

b:0.5
occ:1.00
SG A:CYS382 2.6 41.9 1.0
CB A:CYS455 3.1 47.8 1.0
CB A:CYS382 3.1 37.6 1.0
O A:GLN378 3.3 28.5 1.0
CA A:CYS455 3.3 44.2 1.0
SG A:CYS455 3.6 57.0 1.0
CH2 A:TRP396 3.6 26.2 1.0
C A:GLN378 3.8 28.6 1.0
N A:CYS455 3.9 39.6 1.0
CB A:GLN378 4.1 31.0 1.0
CZ2 A:TRP396 4.4 26.6 1.0
CA A:GLN378 4.4 29.2 1.0
N A:LEU379 4.5 28.4 1.0
CZ3 A:TRP396 4.5 26.4 1.0
C A:CYS455 4.5 43.7 1.0
CA A:CYS382 4.5 35.1 1.0
O A:PHE451 4.7 30.6 1.0
CZ A:PHE451 4.7 29.3 1.0
CA A:LEU379 4.7 28.0 1.0
N A:CYS382 4.7 32.8 1.0
O A:CYS455 4.8 43.2 1.0
C A:SER454 4.8 36.5 1.0
CE2 A:PHE451 4.8 29.4 1.0
O A:SER454 5.0 36.3 1.0

Mercury binding site 8 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 8 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg610

b:25.5
occ:0.50
HG A:EMC610 0.0 25.5 0.5
C1 A:EMC610 2.4 25.0 0.5
SG A:CYS439 2.5 29.6 1.0
OG1 A:THR375 3.0 21.8 1.0
C2 A:EMC610 3.2 25.1 0.5
CB A:CYS439 3.2 28.0 1.0
OE1 A:GLU448 3.4 28.6 1.0
O A:HOH724 3.9 18.5 1.0
CA A:CYS439 4.0 27.4 1.0
CB A:THR375 4.2 21.6 1.0
CG2 A:THR375 4.3 21.6 1.0
CD A:GLU448 4.4 27.8 1.0
N A:CYS439 4.8 27.9 1.0
CA A:THR375 4.8 21.8 1.0
O A:ASN371 4.8 24.9 1.0
OE2 A:GLU448 5.0 28.1 1.0

Mercury binding site 9 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 9 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg602

b:19.2
occ:0.50
SG B:CYS196 2.5 25.4 1.0
OH B:TYR300 3.0 29.3 1.0
CB B:CYS196 3.2 26.9 1.0
CG B:PRO267 3.4 34.7 1.0
OD1 B:ASN262 3.4 27.0 1.0
CD B:PRO267 3.5 34.7 1.0
ND2 B:ASN262 3.7 27.4 1.0
CG B:ASN262 4.0 27.0 1.0
CZ B:TYR300 4.0 30.1 1.0
CE1 B:TYR300 4.2 30.0 1.0
O B:PRO267 4.6 32.2 1.0
CA B:CYS196 4.6 27.6 1.0
N B:PRO267 4.7 34.5 1.0
CB B:PRO267 4.8 34.1 1.0
O3 B:GOL610 5.0 37.9 1.0

Mercury binding site 10 out of 33 in 6bzi

Go back to Mercury Binding Sites List in 6bzi
Mercury binding site 10 out of 33 in the Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 10 of Crystal Structure of Halogenase Pltm in Complex with Ethyl Mercury and Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg603

b:22.9
occ:0.50
SG B:CYS254 2.5 21.1 0.5
CB B:CYS254 2.9 24.1 0.5
OD1 B:ASN244 3.1 20.2 1.0
CB B:CYS254 3.1 20.1 0.5
ND2 B:ASN244 3.3 20.2 1.0
SG B:CYS254 3.4 29.0 0.5
CG B:ASN244 3.4 19.7 1.0
HG B:HG609 3.5 42.7 0.3
N B:CYS254 3.6 19.4 0.5
N B:CYS254 3.7 20.6 0.5
CA B:CYS254 3.7 22.0 0.5
CA B:CYS254 3.7 19.6 0.5
C B:LEU253 3.8 19.3 1.0
CB B:VAL205 3.8 20.0 1.0
O B:LEU253 3.9 19.8 1.0
O B:VAL205 3.9 21.0 1.0
O B:GLN252 4.2 18.1 1.0
N B:VAL205 4.2 19.1 1.0
CG2 B:VAL205 4.4 20.0 1.0
CA B:VAL205 4.5 20.0 1.0
O B:MET202 4.5 15.2 1.0
CB B:ASN244 4.6 19.4 1.0
C B:VAL205 4.7 20.6 1.0
CA B:LEU253 4.7 18.5 1.0
CB B:PRO242 4.7 14.9 1.0
CG1 B:VAL205 4.8 19.8 1.0
C B:GLN252 4.9 18.2 1.0
CA B:PRO242 5.0 14.7 1.0

Reference:

S.Mori, A.H.Pang, N.Thamban Chandrika, S.Garneau-Tsodikova, O.V.Tsodikov. Unusual Substrate and Halide Versatility of Phenolic Halogenase Pltm. Nat Commun V. 10 1255 2019.
ISSN: ESSN 2041-1723
PubMed: 30890712
DOI: 10.1038/S41467-019-09215-9
Page generated: Sun Dec 13 19:13:52 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy