Mercury in PDB 4rzb: The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury

The structure of The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury, PDB code: 4rzb was solved by A.A.Fedorov, E.V.Fedorov, R.Marti-Arbona, F.M.Raushel, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.99 / 1.86
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.560, 141.831, 86.415, 90.00, 107.18, 90.00
R / Rfree (%)	16 / 17.6

The structure of The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Mercury atom in the The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury (pdb code 4rzb). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 6 binding sites of Mercury where determined in the The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury, PDB code: 4rzb:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 in the The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg503 b:20.8 occ:0.76 O A:HOH1083 2.3 29.2 1.0 SG A:CYS243 2.4 17.6 1.0 OG A:SER247 3.4 17.6 1.0 CB A:CYS243 3.4 17.6 1.0 CE1 A:PHE164 3.5 17.5 1.0 CA A:CYS243 3.7 17.9 1.0 CG A:TRP254 3.8 15.2 1.0 CB A:SER247 3.8 17.7 1.0 CD1 A:TRP254 3.9 15.6 1.0 O A:CYS243 3.9 18.2 1.0 CD1 A:PHE164 3.9 17.7 1.0 CB A:TRP254 4.1 15.0 1.0 CD2 A:TRP254 4.2 15.0 1.0 C A:CYS243 4.2 18.1 1.0 NE1 A:TRP254 4.3 15.9 1.0 CZ A:PHE164 4.3 17.5 1.0 CE2 A:TRP254 4.5 15.5 1.0 CD1 A:LEU208 4.6 14.4 1.0 CE3 A:TRP254 4.9 14.8 1.0 N A:CYS243 5.0 18.0 1.0

Mercury binding site 2 out of 6 in the The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg504 b:25.0 occ:0.42 O A:HOH1057 2.3 30.0 1.0 SG A:CYS102 2.5 19.7 0.5 O A:HOH739 2.9 24.6 1.0 O A:HOH758 3.0 30.7 1.0 HG A:HG505 3.1 39.1 0.4 CB A:CYS102 3.2 19.7 0.5 CB A:CYS102 3.3 19.6 0.5 O A:GLU98 3.5 20.4 1.0 CG A:GLU98 3.8 20.7 1.0 C A:GLU98 3.9 20.8 1.0 OE2 A:GLU98 4.1 20.5 1.0 SG A:CYS102 4.1 19.4 0.5 CA A:VAL99 4.2 16.9 1.0 N A:VAL99 4.3 16.9 1.0 CD A:GLU98 4.3 20.8 1.0 O A:HOH699 4.4 19.7 1.0 CB A:GLU98 4.5 21.1 1.0 CA A:CYS102 4.6 19.4 0.5 O A:HOH971 4.7 38.6 1.0 CA A:CYS102 4.7 19.4 0.5 O A:HOH934 4.7 40.6 1.0 CA A:GLU98 4.8 21.0 1.0 N A:CYS102 4.9 19.7 0.5 N A:CYS102 4.9 19.7 0.5 CB A:ALA144 5.0 15.4 1.0 O A:VAL99 5.0 15.6 1.0

Mercury binding site 3 out of 6 in the The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg505 b:39.1 occ:0.36 SG A:CYS102 2.4 19.4 0.5 O A:HOH812 2.6 37.0 1.0 SG A:CYS102 2.7 19.7 0.5 O A:HOH758 3.0 30.7 1.0 O A:HOH934 3.0 40.6 1.0 HG A:HG504 3.1 25.0 0.4 O A:HOH790 3.2 35.2 1.0 CB A:CYS102 3.2 19.6 0.5 CB A:CYS102 3.3 19.7 0.5 CB A:ALA147 3.9 20.5 1.0 O A:HOH739 4.3 24.6 1.0 O A:HOH699 4.4 19.7 1.0 CA A:CYS102 4.6 19.4 0.5 CA A:CYS102 4.7 19.4 0.5 CB A:SER440 4.9 18.9 1.0 O A:HOH1057 4.9 30.0 1.0

Mercury binding site 4 out of 6 in the The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg503 b:22.0 occ:0.76 O B:HOH1014 2.3 27.5 1.0 SG B:CYS243 2.4 19.2 1.0 CB B:CYS243 3.4 19.2 1.0 OG B:SER247 3.5 19.5 1.0 CE1 B:PHE164 3.5 15.3 1.0 CA B:CYS243 3.7 19.4 1.0 CG B:TRP254 3.7 17.7 1.0 CB B:SER247 3.8 19.8 1.0 CD1 B:TRP254 3.8 17.8 1.0 O B:CYS243 3.9 19.5 1.0 CD1 B:PHE164 4.0 15.7 1.0 CB B:TRP254 4.1 17.5 1.0 CD2 B:TRP254 4.2 17.8 1.0 C B:CYS243 4.2 19.3 1.0 NE1 B:TRP254 4.3 18.0 1.0 CD1 B:LEU208 4.4 14.4 1.0 CZ B:PHE164 4.4 15.1 1.0 CE2 B:TRP254 4.5 18.0 1.0 CE3 B:TRP254 4.9 17.8 1.0

Mercury binding site 5 out of 6 in the The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg504 b:43.6 occ:0.50 SG B:CYS102 2.3 19.8 0.6 SG B:CYS102 2.7 19.7 0.4 HG B:HG505 3.0 32.6 0.4 O B:HOH903 3.0 32.4 1.0 CB B:CYS102 3.1 19.8 0.6 CB B:CYS102 3.2 19.9 0.4 CB B:ALA147 4.0 22.2 1.0 O B:HOH775 4.2 34.3 1.0 O B:HOH726 4.2 28.6 1.0 O B:HOH692 4.2 18.9 1.0 CA B:CYS102 4.5 19.6 0.4 CA B:CYS102 4.6 19.6 0.6 CB B:SER440 4.9 22.2 1.0 OG B:SER440 5.0 22.1 1.0

Mercury binding site 6 out of 6 in the The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of The Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa Complexed with N-Formimino-L-Aspartate, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg505 b:32.6 occ:0.36 SG B:CYS102 2.5 19.7 0.4 O B:HOH726 2.5 28.6 1.0 O B:HOH797 2.7 41.8 1.0 HG B:HG504 3.0 43.6 0.5 O B:HOH903 3.1 32.4 1.0 CB B:CYS102 3.2 19.9 0.4 CB B:CYS102 3.3 19.8 0.6 O B:GLU98 3.5 21.5 1.0 CG B:GLU98 3.9 21.6 1.0 C B:GLU98 3.9 21.6 1.0 SG B:CYS102 4.0 19.8 0.6 OE2 B:GLU98 4.1 22.4 1.0 CA B:VAL99 4.2 16.9 1.0 N B:VAL99 4.3 16.8 1.0 CD B:GLU98 4.3 21.9 1.0 O B:HOH692 4.4 18.9 1.0 CA B:CYS102 4.5 19.6 0.4 CB B:GLU98 4.5 21.8 1.0 CA B:CYS102 4.6 19.6 0.6 CA B:GLU98 4.8 21.7 1.0 N B:CYS102 4.8 19.6 0.4 N B:CYS102 4.8 19.6 0.6 CB B:ALA144 4.9 20.4 1.0 CA B:ALA144 4.9 20.4 1.0 CG2 B:VAL99 5.0 18.5 1.0

A.A.Fedorov, R.Marti-Arbona, V.V.Nemmara, D.Hitchcock, E.V.Fedorov, S.C.Almo, F.M.Raushel. Structure of N-Formimino-L-Glutamate Iminohydrolase From Pseudomonas Aeruginosa. Biochemistry V. 54 890 2015.
ISSN: ISSN 0006-2960
PubMed: 25559274
DOI: 10.1021/BI501299Y