Mercury in PDB 1arm: Carboxypeptidase A with Zn Replaced By Hg

All present enzymatic activity of Carboxypeptidase A with Zn Replaced By Hg:
3.4.17.1;

The structure of Carboxypeptidase A with Zn Replaced By Hg, PDB code: 1arm was solved by H.M.Greenblatt, H.Feinberg, P.A.Tucker, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.10 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.700, 60.320, 47.200, 90.00, 97.39, 90.00
R / Rfree (%)	14.6 / n/a

The structure of Carboxypeptidase A with Zn Replaced By Hg also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Mercury atom in the Carboxypeptidase A with Zn Replaced By Hg (pdb code 1arm). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Carboxypeptidase A with Zn Replaced By Hg, PDB code: 1arm:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Carboxypeptidase A with Zn Replaced By Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carboxypeptidase A with Zn Replaced By Hg within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg310 b:17.4 occ:1.00 ND1 A:HIS196 2.1 10.7 1.0 ND1 A:HIS69 2.3 10.2 1.0 N A:TRS319 2.4 1.1 0.4 O A:HOH320 2.5 10.2 0.6 OE1 A:GLU72 2.5 8.9 1.0 OE2 A:GLU72 2.6 14.6 1.0 O2 A:TRS319 2.8 9.1 0.4 CD A:GLU72 2.9 10.5 1.0 CE1 A:HIS196 3.1 11.0 1.0 CG A:HIS196 3.2 11.5 1.0 CE1 A:HIS69 3.2 16.1 1.0 C A:TRS319 3.3 6.7 0.4 CG A:HIS69 3.3 12.5 1.0 C1 A:TRS319 3.3 13.5 0.4 CB A:HIS196 3.5 6.2 1.0 CB A:HIS69 3.6 14.4 1.0 C2 A:TRS319 3.6 13.1 0.4 O A:SER197 3.9 16.0 1.0 O1 A:TRS319 4.3 66.3 0.4 NE2 A:HIS196 4.4 15.5 1.0 CD2 A:HIS196 4.4 16.9 1.0 NE2 A:HIS69 4.4 19.6 1.0 CG A:GLU72 4.4 11.4 1.0 CD2 A:HIS69 4.5 12.7 1.0 CA A:HIS196 4.5 16.1 1.0 OE2 A:GLU270 4.5 24.5 1.0 N A:SER197 4.5 11.9 1.0 O A:HOH321 4.6 12.2 0.4 O A:HOH334 4.6 14.4 1.0 O A:HOH427 4.7 38.6 0.5 C3 A:TRS319 4.7 10.0 0.4 OE1 A:GLU270 4.7 23.3 1.0 NH1 A:ARG127 4.9 72.9 1.0 C A:SER197 5.0 12.3 1.0 CA A:HIS69 5.0 5.9 1.0 CD A:GLU270 5.0 34.6 1.0

Mercury binding site 2 out of 4 in the Carboxypeptidase A with Zn Replaced By Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Carboxypeptidase A with Zn Replaced By Hg within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg316 b:24.8 occ:0.40 NZ A:LYS84 2.3 24.1 1.0 NE2 A:HIS29 2.3 34.7 1.0 CE1 A:HIS29 2.8 20.4 1.0 CE A:LYS84 3.2 27.7 1.0 OE1 A:GLU28 3.3 39.2 1.0 OG1 A:THR87 3.4 19.1 1.0 CD2 A:HIS29 3.5 32.3 1.0 CD A:LYS84 3.5 23.3 1.0 OE2 A:GLU88 3.5 0.0 1.0 OG1 A:THR4 3.6 26.4 1.0 ND1 A:HIS29 4.1 30.4 1.0 CG A:HIS29 4.4 14.7 1.0 CB A:THR87 4.4 14.7 1.0 CD1 A:LEU25 4.4 22.9 1.0 CD A:GLU28 4.6 38.2 1.0 ND2 A:ASN5 4.7 28.5 1.0 CD A:GLU88 4.8 0.0 1.0 CB A:GLU28 4.9 18.4 1.0 CB A:THR4 4.9 13.7 1.0 OD1 A:ASN5 5.0 51.5 1.0

Mercury binding site 3 out of 4 in the Carboxypeptidase A with Zn Replaced By Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Carboxypeptidase A with Zn Replaced By Hg within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg317 b:32.7 occ:0.40 O A:HOH376 2.4 24.0 0.9 O A:HOH446 2.9 84.6 0.8 O A:HOH428 3.2 40.9 0.8 O A:HOH417 3.9 34.3 0.9 O A:HOH487 4.1 47.6 1.0 NE1 A:TRP81 4.4 17.7 1.0 CZ2 A:TRP81 4.8 18.0 1.0 CE2 A:TRP81 5.0 10.3 1.0

Mercury binding site 4 out of 4 in the Carboxypeptidase A with Zn Replaced By Hg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Carboxypeptidase A with Zn Replaced By Hg within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg318 b:34.8 occ:0.40 ND1 A:HIS29 2.3 30.4 1.0 CG A:HIS29 3.1 14.7 1.0 O A:HOH481 3.1 37.9 0.7 O A:HOH499 3.2 35.7 1.0 CB A:HIS29 3.2 13.9 1.0 CE1 A:HIS29 3.4 20.4 1.0 CA A:HIS29 3.8 20.0 1.0 O A:GLU28 4.1 27.2 1.0 CD2 A:HIS29 4.3 32.3 1.0 NE2 A:HIS29 4.4 34.7 1.0 C A:HIS29 4.7 24.0 1.0 N A:HIS29 4.8 17.2 1.0 CD2 A:LEU32 4.8 37.9 1.0 CB A:LEU32 4.9 22.4 1.0 C A:GLU28 4.9 27.5 1.0 O A:THR87 5.0 23.3 1.0 O A:HIS29 5.0 26.6 1.0

H.M.Greenblatt, H.Feinberg, P.A.Tucker, G.Shoham. Carboxypeptidase A: Native, Zinc-Removed and Mercury-Replaced Forms. Acta Crystallogr.,Sect.D V. 54 289 1998.
ISSN: ISSN 0907-4449
PubMed: 9867434
DOI: 10.1107/S0907444997010445