Mercury in PDB 4fyf: Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase

All present enzymatic activity of Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase:
3.1.3.67;

The structure of Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase, PDB code: 4fyf was solved by F.S.Hsu, W.Zhu, L.Brennan, L.Tao, Z.Q.Luo, Y.Mao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.18 / 2.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.835, 115.709, 125.114, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 27

The binding sites of Mercury atom in the Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase (pdb code 4fyf). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase, PDB code: 4fyf:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in the Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg802 b:0.0 occ:0.98 SG A:CYS206 2.8 42.4 0.5 O A:CYS206 3.1 17.6 1.0 CB A:CYS206 3.1 42.4 1.0 SD A:MET245 3.3 42.1 0.6 C A:CYS206 3.4 52.4 1.0 CG A:MET245 3.4 40.7 1.0 OG1 A:THR303 3.5 39.5 1.0 CE A:MET245 3.7 45.9 1.0 CB A:MET245 3.7 43.5 1.0 CG2 A:THR303 3.8 33.9 1.0 CA A:CYS206 3.8 43.5 1.0 CB A:THR303 4.1 38.4 1.0 N A:GLY207 4.2 42.0 1.0 N A:CYS206 4.6 49.7 1.0 CA A:GLY207 4.6 45.5 1.0 O A:MET245 4.8 45.1 1.0 C A:MET245 4.9 43.0 1.0 CA A:MET245 5.0 44.6 1.0

Mercury binding site 2 out of 3 in the Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg803 b:0.8 occ:0.85 SG A:CYS635 2.6 42.4 0.5 CB A:CYS635 2.9 42.5 1.0 C A:CYS635 3.2 39.2 1.0 O A:CYS635 3.3 39.2 1.0 N A:GLU636 3.6 38.1 1.0 CA A:CYS635 3.7 40.6 1.0 CA A:GLU636 4.2 48.4 1.0 O A:SER632 4.3 39.3 1.0 OE2 A:GLU636 4.5 64.6 1.0 CD A:GLU636 4.7 61.6 1.0 N A:CYS635 4.9 37.7 1.0 CG A:GLU636 4.9 57.7 1.0 ND1 A:HIS263 5.0 35.8 1.0

Mercury binding site 3 out of 3 in the Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structural Basis For Substrate Recognition By A Novel Legionella Phosphoinositide Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg804 b:0.9 occ:0.68 SG A:CYS602 2.7 59.7 0.6 O A:PHE598 2.9 60.0 1.0 N A:CYS602 3.3 47.6 1.0 CD1 A:LEU455 3.3 73.6 1.0 OG A:SER601 3.5 58.3 1.0 CB A:CYS602 3.6 53.7 1.0 CA A:CYS602 3.8 50.3 1.0 CB A:SER601 3.8 53.9 1.0 C A:PHE598 3.9 59.0 1.0 CE2 A:PHE598 4.0 64.4 1.0 CD2 A:PHE598 4.0 60.9 1.0 CZ A:PHE598 4.1 63.3 1.0 C A:SER601 4.1 54.3 1.0 CG A:PHE598 4.1 60.4 1.0 CE1 A:PHE598 4.3 62.2 1.0 CD1 A:PHE598 4.3 59.7 1.0 CA A:PHE598 4.3 57.1 1.0 CG1 A:VAL451 4.4 47.8 1.0 CD2 A:LEU455 4.4 72.5 1.0 CG A:LEU455 4.4 81.0 1.0 CA A:SER601 4.5 56.3 1.0 CB A:PHE598 4.8 57.8 1.0 O A:HIS597 4.9 55.9 1.0

F.Hsu, W.Zhu, L.Brennan, L.Tao, Z.Q.Luo, Y.Mao. Structural Basis For Substrate Recognition By A Unique Legionella Phosphoinositide Phosphatase. Proc.Natl.Acad.Sci.Usa V. 109 13567 2012.
ISSN: ISSN 0027-8424
PubMed: 22872863
DOI: 10.1073/PNAS.1207903109