Mercury in PDB 1p5s: Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe

The structure of Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe, PDB code: 1p5s was solved by C.H.Wang, M.K.Balasubramanian, T.Dokland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.00 / 2.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	30.884, 68.666, 35.309, 90.00, 102.51, 90.00
R / Rfree (%)	19.7 / 24.6

The binding sites of Mercury atom in the Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe (pdb code 1p5s). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe, PDB code: 1p5s:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg191 b:7.5 occ:0.64 O A:HOH236 2.3 2.0 1.0 SG A:CYS139 2.4 14.8 1.0 O A:PHE120 2.7 20.1 1.0 O A:CYS139 3.0 8.0 1.0 ND1 A:HIS121 3.2 32.2 1.0 CB A:CYS139 3.4 9.6 1.0 C A:PHE120 3.4 20.7 1.0 CA A:CYS139 3.5 8.7 1.0 C A:CYS139 3.6 10.5 1.0 CA A:HIS121 3.8 24.2 0.0 N A:HIS121 4.0 20.2 1.0 CE1 A:HIS121 4.0 32.9 1.0 CB A:PHE120 4.1 19.3 1.0 CD1 A:ILE111 4.2 20.1 1.0 CG A:HIS121 4.2 33.7 1.0 N A:LEU143 4.3 12.9 1.0 CG2 A:ILE111 4.4 14.2 1.0 CB A:LEU143 4.4 9.2 1.0 CB A:HIS121 4.4 24.0 1.0 CB A:ALA142 4.4 9.2 1.0 CA A:PHE120 4.4 21.8 1.0 CB A:ILE111 4.5 14.9 1.0 CA A:LEU143 4.7 12.8 1.0 N A:ILE140 4.7 5.0 1.0 N A:CYS139 4.9 7.4 1.0 CG1 A:ILE111 5.0 18.3 1.0 C A:HIS121 5.0 20.6 1.0

Mercury binding site 2 out of 4 in the Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg192 b:9.5 occ:0.53 SG A:CYS54 2.2 15.9 1.0 OE2 A:GLU53 2.2 16.5 1.0 O A:TRP50 2.7 11.1 1.0 NE1 A:TRP50 3.0 11.4 1.0 O A:HOH263 3.2 35.0 1.0 CD1 A:TRP50 3.2 12.6 1.0 CB A:CYS54 3.3 13.1 1.0 CD A:GLU53 3.3 38.3 1.0 N A:CYS54 3.3 12.9 1.0 CE2 A:TRP50 3.5 14.0 1.0 CA A:CYS54 3.5 13.0 1.0 CG A:TRP50 3.7 15.4 1.0 C A:TRP50 3.7 8.7 1.0 CG A:GLU53 3.8 28.3 1.0 CD2 A:TRP50 3.8 15.7 1.0 CB A:GLU53 4.0 17.6 1.0 C A:GLU53 4.0 15.9 1.0 O A:PRO154 4.2 19.8 0.0 CZ2 A:TRP50 4.2 12.7 1.0 CD A:PRO154 4.2 16.7 1.0 CA A:TRP50 4.3 9.9 1.0 OE1 A:GLU53 4.4 34.8 1.0 CB A:PRO154 4.5 15.6 1.0 CA A:GLU53 4.5 17.8 1.0 CB A:TRP50 4.6 13.3 1.0 CG A:PRO154 4.6 18.6 1.0 NZ A:LYS81 4.7 6.1 1.0 O A:GLU53 4.7 16.2 1.0 N A:PRO154 4.7 21.4 1.0 N A:ILE51 4.8 8.2 1.0 CE3 A:TRP50 4.8 16.3 1.0 C A:PRO154 4.9 16.2 1.0 N A:GLU53 5.0 17.7 1.0

Mercury binding site 3 out of 4 in the Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg193 b:4.1 occ:0.45 SG A:CYS42 2.5 22.7 1.0 O A:HOH246 2.6 15.8 1.0 O A:HOH244 2.9 28.0 1.0 CB A:CYS42 3.3 12.2 1.0 O A:TYR38 3.4 15.0 1.0 CD1 A:TYR38 3.5 22.0 1.0 O A:HOH228 3.5 28.6 1.0 CE1 A:TYR38 3.5 16.2 1.0 C A:TYR38 3.9 16.7 1.0 CA A:ASP39 4.0 17.5 1.0 CG A:TYR38 4.1 19.0 1.0 N A:ASP39 4.2 18.4 1.0 CZ A:TYR38 4.2 17.8 1.0 OD1 A:ASP39 4.2 17.9 1.0 O A:ASP39 4.4 9.8 1.0 CA A:CYS42 4.6 11.6 1.0 CD2 A:TYR38 4.6 18.0 1.0 C A:ASP39 4.6 13.8 1.0 NH1 A:ARG43 4.7 51.1 1.0 CE2 A:TYR38 4.7 20.2 1.0 N A:CYS42 4.7 12.4 1.0 CB A:TYR38 4.8 19.8 1.0 OH A:TYR38 4.9 15.9 1.0 CA A:TYR38 4.9 18.2 1.0

Mercury binding site 4 out of 4 in the Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure and Function of the Calponin-Homology Domain of An Iqgap Protein From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg194 b:35.7 occ:0.30 O A:HOH282 2.6 26.4 1.0 O A:HOH260 2.6 29.9 1.0 CE1 A:HIS100 2.7 17.8 1.0 NE2 A:HIS100 3.4 16.5 1.0 CZ A:PHE98 3.7 13.3 1.0 ND1 A:HIS100 3.8 24.2 1.0 CE2 A:PHE98 3.9 13.7 1.0 CE1 A:PHE98 4.2 15.5 1.0 CB A:ASN71 4.4 12.1 1.0 CD2 A:PHE98 4.6 15.9 1.0 CD2 A:HIS100 4.7 23.5 1.0 CG A:HIS100 4.9 18.9 1.0 CD1 A:PHE98 4.9 16.5 1.0

C.H.Wang, M.K.Balasubramanian, T.Dokland. Structure, Crystal Packing and Molecular Dynamics of the Calponin-Homology Domain of Schizosaccharomyces Pombe RNG2. Acta Crystallogr.,Sect.D V. 60 1396 2004.
ISSN: ISSN 0907-4449
PubMed: 15272162
DOI: 10.1107/S0907444904012983