Mercury in PDB 3ebq: Crystal Structure of Human PPPDE1

The structure of Crystal Structure of Human PPPDE1, PDB code: 3ebq was solved by J.R.Walker, M.Akutsu, L.Qiu, Y.Li, Y.Slessarev, C.Bountra, J.Weigelt, C.H.Arrowsmith, A.M.Edwards, A.Botchkarev, S.Dhe-Paganon, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.04 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	41.625, 41.625, 184.239, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.3

The binding sites of Mercury atom in the Crystal Structure of Human PPPDE1 (pdb code 3ebq). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Crystal Structure of Human PPPDE1, PDB code: 3ebq:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in the Crystal Structure of Human PPPDE1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Human PPPDE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg201 b:79.3 occ:1.00 SG A:CYS58 2.5 52.3 1.0 O A:GLY62 3.1 63.4 1.0 CB A:CYS58 3.1 49.7 1.0 CA A:THR63 4.0 59.3 1.0 C A:GLY62 4.0 61.1 1.0 CA A:CYS58 4.2 49.1 1.0 N A:THR63 4.3 59.2 1.0 C A:THR63 4.8 61.4 1.0 CB A:THR63 4.9 56.7 1.0 CD A:PRO59 4.9 52.2 1.0

Mercury binding site 2 out of 3 in the Crystal Structure of Human PPPDE1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Human PPPDE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg202 b:57.9 occ:0.50 HG A:HG202 0.0 57.9 0.5 SG A:CYS108 2.4 38.9 0.5 CB A:CYS108 3.5 34.6 0.5 CB A:CYS108 3.5 33.0 0.5 N A:CYS108 3.7 31.9 0.5 N A:CYS108 3.7 32.6 0.5 ND2 A:ASN109 3.9 31.8 1.0 HG A:HG202 3.9 36.1 0.5 ND1 A:HIS38 4.0 40.2 1.0 CB A:ASN107 4.0 33.1 1.0 CA A:CYS108 4.1 31.6 0.5 CG A:ASN107 4.1 32.7 1.0 CA A:CYS108 4.1 33.0 0.5 OH A:TYR101 4.1 41.5 1.0 N A:ASN109 4.2 29.6 1.0 CA A:HIS38 4.2 37.6 1.0 O A:TRP37 4.2 42.0 1.0 CB A:HIS38 4.2 37.9 1.0 CG A:ASN109 4.3 31.2 1.0 OD1 A:ASN107 4.3 28.9 1.0 ND2 A:ASN107 4.4 33.5 1.0 OD1 A:ASN109 4.5 30.5 1.0 SG A:CYS108 4.5 32.2 0.5 C A:CYS108 4.6 30.6 0.5 CG A:HIS38 4.6 38.3 1.0 C A:CYS108 4.6 31.3 0.5 C A:ASN107 4.7 32.4 1.0 CA A:ASN107 4.9 33.5 1.0 N A:HIS38 5.0 39.2 1.0

Mercury binding site 3 out of 3 in the Crystal Structure of Human PPPDE1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Human PPPDE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg202 b:36.1 occ:0.50 HG A:HG202 0.0 36.1 0.5 SG A:CYS108 2.3 32.2 0.5 CB A:CYS108 3.1 33.0 0.5 CB A:CYS108 3.2 34.6 0.5 ND1 A:HIS38 3.4 40.2 1.0 CE1 A:HIS38 3.7 39.5 1.0 SG A:CYS108 3.7 38.9 0.5 HG A:HG202 3.9 57.9 0.5 O A:PHE50 3.9 40.7 1.0 CE1 A:TYR101 3.9 40.0 1.0 OH A:TYR101 4.0 41.5 1.0 CA A:CYS108 4.3 33.0 0.5 CA A:CYS108 4.3 31.6 0.5 N A:CYS108 4.3 32.6 0.5 N A:CYS108 4.3 31.9 0.5 CZ A:TYR101 4.3 41.8 1.0 C A:PHE50 4.6 38.7 1.0 CG A:HIS38 4.7 38.3 1.0 CA A:GLY51 4.7 41.5 1.0 NE2 A:HIS38 4.9 34.8 1.0 CD1 A:TYR101 5.0 39.2 1.0

J.R.Walker, M.Akutsu, L.Qiu, Y.Li, Y.Slessarev, J.Weigelt, C.Bountra, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, S.Dhe-Paganon. Structure of Human PPPDE1 To Be Published.