Atomistry » Mercury » PDB 4ihd-4q7w » 4j0g
Atomistry »
  Mercury »
    PDB 4ihd-4q7w »
      4j0g »

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

Protein crystallography data

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

Mercury Binding Sites:

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 4j0g

Go back to Mercury Binding Sites List in 4j0g
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 4j0g

Go back to Mercury Binding Sites List in 4j0g
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 4j0g

Go back to Mercury Binding Sites List in 4j0g
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 4j0g

Go back to Mercury Binding Sites List in 4j0g
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

Reference:

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
Page generated: Sun Dec 13 19:11:13 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