Mercury in PDB 4j0g: Tannin Acyl Hydrolase (Mercury Derivative)

The structure of Tannin Acyl Hydrolase (Mercury Derivative), PDB code: 4j0g was solved by B.Ren, M.Wu, Q.Wang, X.Peng, H.Wen, Q.Chen, W.J.Mckinstry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.357, 62.686, 83.122, 70.49, 86.93, 79.10
R / Rfree (%)	18.9 / 23.2

The binding sites of Mercury atom in the Tannin Acyl Hydrolase (Mercury Derivative) (pdb code 4j0g). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Tannin Acyl Hydrolase (Mercury Derivative), PDB code: 4j0g:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Tannin Acyl Hydrolase (Mercury Derivative)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Tannin Acyl Hydrolase (Mercury Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg501 b:61.2 occ:0.42 O A:HOH737 2.7 35.5 1.0 SG A:CYS468 2.8 66.3 1.0 O A:CYS468 3.1 69.3 1.0 O A:THR66 3.4 24.4 1.0 CB A:CYS468 3.7 61.3 1.0 C A:CYS468 3.8 68.7 1.0 CE1 A:TYR62 3.8 34.1 1.0 CD1 A:TYR62 4.0 34.9 1.0 CA A:CYS468 4.2 62.1 1.0 CB A:THR66 4.3 28.9 1.0 C A:THR66 4.4 25.5 1.0 N A:GLN469 4.6 72.3 1.0 OG1 A:THR66 4.7 24.8 1.0 CA A:THR66 4.9 27.9 1.0

Mercury binding site 2 out of 4 in the Tannin Acyl Hydrolase (Mercury Derivative)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Tannin Acyl Hydrolase (Mercury Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg502 b:31.9 occ:0.82 SG A:CYS204 2.6 24.8 1.0 O A:HOH740 2.6 7.6 1.0 O A:HOH739 2.9 14.8 1.0 ND1 A:HIS451 2.9 77.3 1.0 OD2 A:ASP419 3.0 31.1 1.0 OD2 A:ASP421 3.1 25.9 1.0 CA A:HIS451 3.1 69.1 1.0 CG A:ASP419 3.1 31.2 1.0 CB A:CYS204 3.2 12.4 1.0 CG A:ASP421 3.5 22.5 1.0 OD1 A:ASP419 3.5 33.5 1.0 O A:HOH702 3.6 24.0 1.0 OD1 A:ASP421 3.6 23.6 1.0 N A:SER452 3.6 62.1 1.0 CG A:HIS451 3.7 76.8 1.0 CB A:ASP419 3.7 27.5 1.0 CB A:HIS451 3.8 73.2 1.0 CE1 A:HIS451 3.8 77.8 1.0 O A:PRO450 3.8 65.0 1.0 C A:HIS451 3.9 66.0 1.0 N A:HIS451 4.0 68.2 1.0 CD2 A:HIS415 4.2 20.0 1.0 C A:PRO450 4.3 65.9 1.0 O A:SER452 4.5 57.2 1.0 NE2 A:HIS415 4.5 21.5 1.0 CB A:ASP421 4.6 18.2 1.0 CA A:CYS204 4.7 13.9 1.0 O A:HOH648 4.7 15.9 1.0 CD2 A:HIS451 4.8 78.5 1.0 NE2 A:HIS451 4.8 79.5 1.0 CA A:ASP419 4.8 23.7 1.0 CA A:SER452 4.9 59.6 1.0

Mercury binding site 3 out of 4 in the Tannin Acyl Hydrolase (Mercury Derivative)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Tannin Acyl Hydrolase (Mercury Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg501 b:35.3 occ:0.94 SG B:CYS468 2.3 49.4 1.0 O B:HOH735 2.5 56.2 1.0 O B:HOH772 3.3 3.2 1.0 O B:THR66 3.3 14.6 1.0 CE1 B:TYR62 3.5 16.1 1.0 O B:CYS468 3.5 40.8 1.0 CB B:CYS468 3.6 35.2 1.0 C B:CYS468 3.6 37.5 1.0 CD1 B:TYR62 3.9 15.5 1.0 N B:GLN469 3.9 39.7 1.0 CA B:CYS468 3.9 34.5 1.0 C B:THR66 4.4 19.6 1.0 CA B:GLN469 4.4 43.8 1.0 CB B:THR66 4.6 12.7 1.0 NH1 B:ARG156 4.7 25.5 1.0 CZ B:TYR62 4.7 16.6 1.0 CG B:ARG156 4.9 9.8 1.0 CD B:PRO68 4.9 14.4 1.0

Mercury binding site 4 out of 4 in the Tannin Acyl Hydrolase (Mercury Derivative)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Tannin Acyl Hydrolase (Mercury Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg502 b:24.9 occ:1.00 SG B:CYS204 2.4 2.4 1.0 O B:HOH743 2.7 0.0 1.0 OD2 B:ASP419 2.9 18.2 1.0 CB B:CYS204 3.1 2.5 1.0 CG B:ASP419 3.3 18.0 1.0 O B:HOH685 3.3 7.6 1.0 OD2 B:ASP421 3.3 26.6 1.0 O B:HOH684 3.4 16.9 1.0 O B:HOH683 3.4 19.2 1.0 CG B:ASP421 3.7 23.6 1.0 OD1 B:ASP419 3.8 20.2 1.0 OD1 B:ASP421 3.8 24.3 1.0 CB B:ASP419 3.9 13.0 1.0 O B:HOH707 4.2 26.8 1.0 CD2 B:HIS415 4.3 18.2 1.0 CA B:CYS204 4.6 9.2 1.0 NE2 B:HIS415 4.7 18.5 1.0 CB B:ASP421 4.7 18.9 1.0

B.Ren, M.Wu, Q.Wang, X.Peng, H.Wen, W.J.Mckinstry, Q.Chen. Crystal Structure of Tannase From Lactobacillus Plantarum J.Mol.Biol. 2013.
ISSN: ESSN 1089-8638
PubMed: 23648840
DOI: 10.1016/J.JMB.2013.04.032