Mercury in PDB 6bzi: 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;

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

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

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 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 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 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 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 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 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 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 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 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 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

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