Atomistry » Mercury » PDB 3kbc-3wa8 » 3kbk
Atomistry »
  Mercury »
    PDB 3kbc-3wa8 »
      3kbk »

Mercury in PDB 3kbk: Epi-Isozizaene Synthase Complexed with Hg

Enzymatic activity of Epi-Isozizaene Synthase Complexed with Hg

All present enzymatic activity of Epi-Isozizaene Synthase Complexed with Hg:
4.2.3.37;

Protein crystallography data

The structure of Epi-Isozizaene Synthase Complexed with Hg, PDB code: 3kbk was solved by J.A.Aaron, X.Lin, D.E.Cane, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.74 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.693, 46.549, 75.551, 90.00, 92.34, 90.00
R / Rfree (%) 16.9 / 20.2

Other elements in 3kbk:

The structure of Epi-Isozizaene Synthase Complexed with Hg also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Sodium (Na) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Epi-Isozizaene Synthase Complexed with Hg (pdb code 3kbk). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 6 binding sites of Mercury where determined in the Epi-Isozizaene Synthase Complexed with Hg, PDB code: 3kbk:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 in 3kbk

Go back to Mercury Binding Sites List in 3kbk
Mercury binding site 1 out of 6 in the Epi-Isozizaene Synthase Complexed with Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Epi-Isozizaene Synthase Complexed with Hg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg801

b:21.3
occ:0.77
 SG A:CYS68 2.4 15.3 1.0
CL A:CL701 2.6 31.6 0.6
CB A:CYS68 3.2 14.9 1.0
CE2 A:TYR63 3.6 12.1 1.0
O A:HOH376 3.6 13.8 1.0
O A:HOH467 3.7 21.3 1.0
CD2 A:TYR63 3.9 16.1 1.0
O A:TYR63 4.0 23.6 1.0
OG1 A:THR70 4.1 10.5 1.0
O A:HOH369 4.2 9.9 1.0
CA A:ALA64 4.2 25.2 1.0
CZ A:TYR63 4.3 14.2 1.0
CB A:THR70 4.5 11.8 1.0
C A:TYR63 4.6 23.8 1.0
OH A:TYR63 4.6 15.9 1.0
CA A:CYS68 4.7 13.8 1.0
CG2 A:THR45 4.7 16.1 1.0
N A:ALA64 4.8 24.6 1.0
CG A:TYR63 4.8 19.6 1.0
CB A:ALA64 4.9 31.8 1.0

Mercury binding site 2 out of 6 in 3kbk

Go back to Mercury Binding Sites List in 3kbk
Mercury binding site 2 out of 6 in the Epi-Isozizaene Synthase Complexed with Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Epi-Isozizaene Synthase Complexed with Hg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg802

b:13.1
occ:0.59
 HG A:HG802 0.0 13.1 0.6
HG A:HG802 1.4 46.0 0.4
SG A:CYS283 2.4 17.0 1.0
CL A:CL703 2.5 37.4 0.6
O A:ARG279 3.0 12.8 1.0
OE1 A:GLU234 3.3 24.9 1.0
N A:CYS283 3.3 9.4 1.0
CB A:CYS283 3.4 10.8 1.0
CA A:CYS283 3.5 10.5 1.0
CD1 A:TRP238 3.7 17.9 1.0
NE1 A:TRP238 3.7 19.2 1.0
C A:ARG279 3.9 15.6 1.0
CD A:GLU234 3.9 27.7 1.0
C A:GLU282 4.2 10.4 1.0
CA A:ARG279 4.5 16.7 1.0
CB A:GLU282 4.5 14.1 1.0
CG A:GLU234 4.5 22.7 1.0
CB A:ARG279 4.6 20.6 1.0
OE2 A:GLU234 4.6 31.7 1.0
CG A:TRP238 4.6 18.1 1.0
CE2 A:TRP238 4.7 20.7 1.0
CG A:GLU282 4.7 20.7 1.0
O A:GLU282 4.8 11.2 1.0
CA A:GLU282 4.9 11.0 1.0
CD2 A:LEU231 4.9 12.2 1.0
N A:VAL280 4.9 14.8 1.0

Mercury binding site 3 out of 6 in 3kbk

Go back to Mercury Binding Sites List in 3kbk
Mercury binding site 3 out of 6 in the Epi-Isozizaene Synthase Complexed with Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Epi-Isozizaene Synthase Complexed with Hg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg802

b:46.0
occ:0.41
 HG A:HG802 0.0 46.0 0.4
HG A:HG802 1.4 13.1 0.6
SG A:CYS283 2.3 17.0 1.0
OE1 A:GLU234 2.7 24.9 1.0
CD A:GLU234 3.0 27.7 1.0
CL A:CL703 3.1 37.4 0.6
OE2 A:GLU234 3.4 31.7 1.0
CB A:CYS283 3.5 10.8 1.0
CA A:CYS283 3.6 10.5 1.0
CD2 A:LEU231 3.7 12.2 1.0
CG A:GLU234 3.8 22.7 1.0
N A:CYS283 3.9 9.4 1.0
NE1 A:TRP238 4.1 19.2 1.0
CD1 A:TRP238 4.1 17.9 1.0
O A:ARG279 4.3 12.8 1.0
CB A:GLU234 4.4 13.5 1.0
C A:GLU282 4.7 10.4 1.0
OE1 A:GLU286 4.9 15.1 0.5
O A:HOH668 4.9 35.6 1.0

Mercury binding site 4 out of 6 in 3kbk

Go back to Mercury Binding Sites List in 3kbk
Mercury binding site 4 out of 6 in the Epi-Isozizaene Synthase Complexed with Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Epi-Isozizaene Synthase Complexed with Hg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg803

b:20.8
occ:0.78
 CL A:CL704 2.5 23.3 0.6
SG A:CYS243 2.5 22.7 1.0
CB A:CYS243 3.1 23.6 1.0
O A:HOH692 3.2 29.9 1.0
CD2 A:TYR239 3.2 12.2 1.0
ND1 A:HIS333 3.3 24.4 1.0
CE2 A:TYR239 3.3 17.7 1.0
O A:TYR239 3.3 12.6 1.0
CG A:HIS333 3.4 18.9 1.0
CE1 A:HIS333 3.6 21.1 1.0
CD2 A:HIS333 3.7 22.0 1.0
C A:TYR239 3.8 13.5 1.0
NE2 A:HIS333 3.8 23.9 1.0
CG A:TYR239 3.8 12.0 1.0
CB A:HIS333 3.9 18.3 1.0
CA A:ASN240 3.9 16.5 1.0
N A:ASN240 4.0 11.3 1.0
CZ A:TYR239 4.1 16.2 1.0
CB A:TYR239 4.5 10.1 1.0
CA A:CYS243 4.5 24.7 1.0
CD1 A:TYR239 4.5 15.4 1.0
CE1 A:TYR239 4.6 17.6 1.0
N A:CYS243 4.6 18.3 1.0
CA A:TYR239 4.8 12.3 1.0
OD1 A:ASN240 4.8 22.4 1.0
C A:ASN240 4.8 19.5 1.0
CB A:ASN240 4.9 15.4 1.0
OH A:TYR239 4.9 15.2 1.0
O A:ASN240 4.9 20.8 1.0

Mercury binding site 5 out of 6 in 3kbk

Go back to Mercury Binding Sites List in 3kbk
Mercury binding site 5 out of 6 in the Epi-Isozizaene Synthase Complexed with Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Epi-Isozizaene Synthase Complexed with Hg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg804

b:52.4
occ:0.48
 HG A:HG804 0.0 52.4 0.5
HG A:HG804 2.1 43.5 0.5
SG A:CYS213 2.9 20.9 0.4
CB A:CYS213 3.0 15.3 0.6
CB A:CYS213 3.2 15.5 0.4
O A:HOH424 3.2 19.0 1.0
CA A:CYS213 3.5 16.5 0.6
CA A:CYS213 3.5 16.5 0.4
SG A:CYS213 3.7 18.5 0.6
OE1 A:GLU310 3.7 38.6 1.0
NH1 A:ARG307 3.7 27.3 1.0
O A:GLY212 3.7 16.8 1.0
C A:CYS213 4.4 14.7 1.0
N A:CYS213 4.5 14.2 1.0
N A:GLU214 4.5 13.0 1.0
C A:GLY212 4.5 16.3 1.0
O A:HOH656 4.8 29.6 1.0
O A:HOH419 4.9 26.4 1.0
O A:HOH529 4.9 28.7 1.0
CZ A:ARG307 4.9 36.1 1.0
CD A:GLU310 4.9 44.7 1.0

Mercury binding site 6 out of 6 in 3kbk

Go back to Mercury Binding Sites List in 3kbk
Mercury binding site 6 out of 6 in the Epi-Isozizaene Synthase Complexed with Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Epi-Isozizaene Synthase Complexed with Hg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg804

b:43.5
occ:0.52
 HG A:HG804 0.0 43.5 0.5
HG A:HG804 2.1 52.4 0.5
SG A:CYS213 2.4 18.5 0.6
NH1 A:ARG307 2.7 27.3 1.0
CB A:CYS213 2.9 15.3 0.6
CB A:CYS213 3.0 15.5 0.4
SG A:CYS213 3.2 20.9 0.4
CZ A:ARG307 3.6 36.1 1.0
NH2 A:ARG307 3.7 33.4 1.0
CD2 A:LEU311 3.8 20.2 1.0
CA A:CYS213 3.8 16.5 0.4
CA A:CYS213 3.8 16.5 0.6
O A:GLU214 3.9 12.4 1.0
O A:HOH424 4.1 19.0 1.0
C A:CYS213 4.3 14.7 1.0
N A:GLU214 4.4 13.0 1.0
OE1 A:GLU310 4.4 38.6 1.0
C A:GLU214 4.7 13.3 1.0
NE A:ARG307 4.7 38.7 1.0
CG A:LEU311 4.8 22.1 1.0
CB A:GLU310 5.0 23.8 1.0
O A:HOH656 5.0 29.6 1.0

Reference:

J.A.Aaron, X.Lin, D.E.Cane, D.W.Christianson. Structure of Epi-Isozizaene Synthase From Streptomyces Coelicolor A3(2), A Platform For New Terpenoid Cyclization Templates Biochemistry V. 49 1787 2010.
ISSN: ISSN 0006-2960
PubMed: 20131801
DOI: 10.1021/BI902088Z
Page generated: Sun Aug 11 04:00:31 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy