Mercury in PDB 1euw: Atomic Resolution Structure of E. Coli Dutpase

All present enzymatic activity of Atomic Resolution Structure of E. Coli Dutpase:
3.6.1.23;

The structure of Atomic Resolution Structure of E. Coli Dutpase, PDB code: 1euw was solved by A.Gonzalez, E.Cedergren, G.Larsson, R.Persson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.70 / 1.05
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	85.742, 85.742, 61.749, 90.00, 90.00, 120.00
R / Rfree (%)	14.1 / 16.4

The binding sites of Mercury atom in the Atomic Resolution Structure of E. Coli Dutpase (pdb code 1euw). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Atomic Resolution Structure of E. Coli Dutpase, PDB code: 1euw:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in the Atomic Resolution Structure of E. Coli Dutpase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Atomic Resolution Structure of E. Coli Dutpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg153 b:12.3 occ:0.44 HG A:EMC153 0.0 12.3 0.4 HG A:EMC153 1.0 19.6 0.1 HG A:EMC153 1.5 11.4 0.2 C2 A:EMC153 2.0 18.9 0.4 C1 A:EMC153 2.1 19.8 0.4 SG A:CYS36 2.5 12.2 1.0 O A:CYS36 2.9 10.3 1.0 HH21 A:ARG13 3.0 24.0 0.6 OD1 A:ASP11 3.0 10.3 0.3 OD2 A:ASP11 3.1 12.9 0.7 HB3 A:CYS36 3.2 11.7 1.0 HH22 A:ARG13 3.3 23.3 0.5 CB A:CYS36 3.3 9.8 1.0 HH22 A:ARG13 3.3 24.0 0.6 HH21 A:ARG13 3.3 23.3 0.5 C A:CYS36 3.4 9.6 1.0 NH2 A:ARG13 3.4 19.4 0.5 HB2 A:PRO52 3.4 12.1 1.0 NH2 A:ARG13 3.5 20.0 0.6 HG2 A:PRO52 3.7 13.8 1.0 CG A:ASP11 3.8 11.7 0.7 HB2 A:ASP11 3.9 13.8 0.3 O A:HOH331 3.9 36.1 1.0 CA A:CYS36 3.9 8.9 1.0 CG A:ASP11 3.9 11.3 0.3 HB2 A:ASP11 4.0 14.9 0.7 CZ A:ARG13 4.1 16.0 0.5 N A:LEU37 4.1 10.8 1.0 HB2 A:CYS36 4.2 11.7 1.0 CB A:PRO52 4.2 10.0 1.0 HA A:LEU37 4.3 13.6 1.0 CB A:ASP11 4.3 12.4 0.7 O A:HOH251 4.3 29.5 1.0 CB A:ASP11 4.3 11.5 0.3 HA A:CYS36 4.3 10.7 1.0 HB3 A:ASP11 4.4 14.9 0.7 HD2 A:ARG13 4.4 21.0 0.6 HB3 A:PRO52 4.4 12.1 1.0 CG A:PRO52 4.4 11.5 1.0 HB3 A:ASP11 4.5 13.8 0.3 HE A:ARG13 4.6 25.6 0.5 O A:HOH470 4.6 34.2 0.5 OD1 A:ASP11 4.6 14.0 0.7 H A:LEU37 4.6 13.0 1.0 HH12 A:ARG13 4.6 26.2 0.5 NH1 A:ARG13 4.7 21.9 0.5 NE A:ARG13 4.7 21.3 0.5 CA A:LEU37 4.7 11.4 1.0 HA2 A:GLY54 4.7 10.5 1.0 HA3 A:GLY54 4.8 10.5 1.0 CZ A:ARG13 4.8 21.0 0.6 H A:GLY54 4.9 9.6 1.0 HG2 A:ARG13 4.9 15.3 0.6 OD2 A:ASP11 4.9 11.7 0.3 N A:GLY54 5.0 8.0 1.0

Mercury binding site 2 out of 3 in the Atomic Resolution Structure of E. Coli Dutpase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Atomic Resolution Structure of E. Coli Dutpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg153 b:11.4 occ:0.24 HG A:EMC153 0.0 11.4 0.2 HG A:EMC153 1.5 12.3 0.4 SG A:CYS36 2.3 12.2 1.0 HG A:EMC153 2.3 19.6 0.1 HB2 A:ASP11 2.8 13.8 0.3 HB2 A:ASP11 2.8 14.9 0.7 HB3 A:CYS36 2.9 11.7 1.0 C1 A:EMC153 2.9 19.8 0.4 OD1 A:ASP11 3.0 10.3 0.3 OD2 A:ASP11 3.0 12.9 0.7 O A:HOH251 3.1 29.5 1.0 HB2 A:PRO52 3.2 12.1 1.0 HA2 A:GLY54 3.2 10.5 1.0 CB A:CYS36 3.2 9.8 1.0 C2 A:EMC153 3.3 18.9 0.4 CB A:ASP11 3.4 12.4 0.7 HB3 A:ASP11 3.4 14.9 0.7 CG A:ASP11 3.4 11.7 0.7 CB A:ASP11 3.4 11.5 0.3 HA3 A:GLY54 3.5 10.5 1.0 O A:HOH331 3.5 36.1 1.0 HB3 A:ASP11 3.5 13.8 0.3 CG A:ASP11 3.6 11.3 0.3 CA A:GLY54 3.6 8.8 1.0 H A:GLY54 3.6 9.6 1.0 N A:GLY54 3.7 8.0 1.0 O A:CYS36 3.8 10.3 1.0 HB2 A:CYS36 3.8 11.7 1.0 HH21 A:ARG13 3.8 24.0 0.6 HB3 A:PRO52 4.0 12.1 1.0 CB A:PRO52 4.0 10.0 1.0 HH22 A:ARG13 4.0 23.3 0.5 OE1 A:GLN96 4.1 12.1 1.0 C A:CYS36 4.3 9.6 1.0 HG2 A:PRO52 4.3 13.8 1.0 CA A:CYS36 4.3 8.9 1.0 NH2 A:ARG13 4.4 19.4 0.5 OD1 A:ASP11 4.4 14.0 0.7 HH22 A:ARG13 4.5 24.0 0.6 C A:THR53 4.5 8.0 1.0 NH2 A:ARG13 4.5 20.0 0.6 HH21 A:ARG13 4.5 23.3 0.5 OD2 A:ASP11 4.7 11.7 0.3 CG A:PRO52 4.7 11.5 1.0 HA A:CYS36 4.8 10.7 1.0 CA A:ASP11 4.9 11.2 1.0 HD2 A:ARG13 4.9 21.0 0.6 HG2 A:ARG13 4.9 15.3 0.6 O A:HOH261 5.0 25.8 1.0 HE22 A:GLN96 5.0 15.1 1.0

Mercury binding site 3 out of 3 in the Atomic Resolution Structure of E. Coli Dutpase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Atomic Resolution Structure of E. Coli Dutpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg153 b:19.6 occ:0.11 HG A:EMC153 0.0 19.6 0.1 HG A:EMC153 1.0 12.3 0.4 HH21 A:ARG13 2.0 24.0 0.6 C2 A:EMC153 2.3 18.9 0.4 HG A:EMC153 2.3 11.4 0.2 SG A:CYS36 2.4 12.2 1.0 HH22 A:ARG13 2.4 24.0 0.6 NH2 A:ARG13 2.5 20.0 0.6 NH2 A:ARG13 2.6 19.4 0.5 HH21 A:ARG13 2.7 23.3 0.5 C1 A:EMC153 2.7 19.8 0.4 HH22 A:ARG13 2.8 23.3 0.5 OD1 A:ASP11 2.8 10.3 0.3 O A:CYS36 3.0 10.3 1.0 C A:CYS36 3.1 9.6 1.0 CZ A:ARG13 3.1 16.0 0.5 OD2 A:ASP11 3.2 12.9 0.7 CB A:CYS36 3.4 9.8 1.0 HB3 A:CYS36 3.5 11.7 1.0 HD2 A:ARG13 3.6 21.0 0.6 N A:LEU37 3.6 10.8 1.0 NH1 A:ARG13 3.7 21.9 0.5 HH12 A:ARG13 3.7 26.2 0.5 CA A:CYS36 3.7 8.9 1.0 CG A:ASP11 3.7 11.7 0.7 CZ A:ARG13 3.7 21.0 0.6 CG A:ASP11 3.8 11.3 0.3 NE A:ARG13 3.8 21.3 0.5 HE A:ARG13 3.8 25.6 0.5 HA A:LEU37 3.9 13.6 1.0 HA A:CYS36 3.9 10.7 1.0 H A:LEU37 4.0 13.0 1.0 CA A:LEU37 4.1 11.4 1.0 HG2 A:ARG13 4.2 15.3 0.6 HB2 A:PRO52 4.2 12.1 1.0 HB2 A:ASP11 4.2 13.8 0.3 HH11 A:ARG13 4.3 26.2 0.5 HB2 A:CYS36 4.3 11.7 1.0 OD1 A:ASP11 4.3 14.0 0.7 CD A:ARG13 4.3 17.5 0.6 C A:LEU37 4.4 13.7 1.0 HB2 A:ASP11 4.4 14.9 0.7 HG2 A:PRO52 4.4 13.8 1.0 OD1 A:ASN38 4.4 15.9 0.5 NE A:ARG13 4.5 20.6 0.6 O A:HOH331 4.5 36.1 1.0 CB A:ASP11 4.5 12.4 0.7 HB3 A:ASP11 4.5 14.9 0.7 CB A:ASP11 4.5 11.5 0.3 OD2 A:ASP11 4.5 11.7 0.3 HH12 A:ARG13 4.6 19.8 0.6 HB3 A:ASP11 4.6 13.8 0.3 NH1 A:ARG13 4.7 16.5 0.6 H A:ASN38 4.7 18.7 1.0 N A:ASN38 4.7 15.6 1.0 HD2 A:ARG13 4.7 23.8 0.5 CG A:ARG13 4.8 12.7 0.6 OD1 A:ASN38 4.8 18.8 0.5 O A:LEU37 4.8 14.7 1.0 CD A:ARG13 4.9 19.8 0.5

A.Gonzalez, G.Larsson, R.Persson, E.Cedergren-Zeppezauer. Atomic Resolution Structure of Escherichia Coli Dutpase Determined Ab Initio. Acta Crystallogr.,Sect.D V. 57 767 2001.
ISSN: ISSN 0907-4449
PubMed: 11375495
DOI: 10.1107/S0907444901004255