Mercury in PDB 1naq: Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution

The structure of Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution, PDB code: 1naq was solved by V.Calderone, S.Mangani, M.Benvenuti, M.S.Viezzoli, L.Banci, I.Bertini, Structural Proteomics In Europe (Spine), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.989, 89.563, 122.294, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 25.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Mercury atom in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution (pdb code 1naq). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 23 binding sites of Mercury where determined in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution, PDB code: 1naq:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


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 CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1333 b:26.6 occ:0.50 HG A:HG1333 0.0 26.6 0.5 SG A:CYS79 2.4 17.8 1.0 CE1 A:HIS83 2.8 28.1 1.0 HG A:HG1333 2.8 40.8 0.5 ND1 A:HIS83 2.9 27.2 1.0 CA A:CYS79 3.4 14.3 1.0 O A:CYS79 3.4 16.1 1.0 CB A:CYS79 3.5 15.5 1.0 C A:CYS79 3.7 15.7 1.0 NE2 A:HIS83 4.0 28.9 1.0 CG A:HIS83 4.2 22.6 1.0 CB A:SER82 4.4 20.9 1.0 N A:CYS79 4.6 13.0 1.0 OE1 A:GLU34 4.7 35.4 1.0 CD2 A:HIS83 4.7 23.0 1.0 O A:HOH1353 4.8 35.8 1.0 O A:HOH1369 4.9 38.0 1.0 N A:HIS83 5.0 19.3 1.0 N A:LEU80 5.0 14.7 1.0

Mercury binding site 2 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


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 CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1333 b:40.8 occ:0.50 HG A:HG1333 0.0 40.8 0.5 SG A:CYS79 2.5 17.8 1.0 OE1 A:GLU34 2.6 35.4 1.0 HG A:HG1333 2.8 26.6 0.5 CB A:CYS79 3.4 15.5 1.0 CD A:GLU34 3.8 33.6 1.0 CD1 A:LEU36 4.0 17.8 1.0 CA A:CYS79 4.2 14.3 1.0 O A:HOH1349 4.3 20.7 1.0 OE2 A:GLU34 4.6 41.3 1.0 CG A:GLU34 4.6 27.4 1.0 CE1 A:HIS83 4.7 28.1 1.0 CB A:GLU34 4.9 18.9 1.0

Mercury binding site 3 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


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 CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg987 b:21.4 occ:1.00 HG A:MBO987 0.0 21.4 1.0 CE1 A:MBO987 2.1 18.7 1.0 SG A:CYS16 2.3 17.7 1.0 CE6 A:MBO987 2.9 17.9 1.0 O A:THR17 3.1 15.6 1.0 CE2 A:MBO987 3.1 20.1 1.0 CB A:CYS16 3.7 13.0 1.0 O B:HOH1672 3.8 16.4 1.0 CB A:PRO89 3.9 14.4 1.0 N A:THR17 4.0 12.8 1.0 C A:THR17 4.0 14.7 1.0 CD2 A:LEU27 4.2 22.4 1.0 CE5 A:MBO987 4.2 19.6 1.0 C A:CYS16 4.4 12.4 1.0 CE3 A:MBO987 4.4 18.4 1.0 CA A:CYS16 4.4 13.3 1.0 CA A:THR17 4.7 14.7 1.0 CA A:PRO89 4.7 14.3 1.0 CE4 A:MBO987 4.8 22.9 1.0 ND1 A:HIS84 4.8 17.7 1.0 SD A:MET64 4.8 19.0 1.0 CD2 A:LEU80 4.8 17.5 1.0 CB A:LEU80 4.9 16.7 1.0 N A:ALA18 5.0 14.4 1.0

Mercury binding site 4 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg988 b:22.3 occ:1.00 HG A:MBO988 0.0 22.3 1.0 CE1 A:MBO988 2.1 28.0 1.0 SG A:CYS39 2.3 16.4 1.0 OE1 C:GLU90 2.7 16.5 1.0 CE2 A:MBO988 2.8 26.4 1.0 CE6 A:MBO988 3.2 27.9 1.0 CB A:CYS39 3.4 14.9 1.0 CD C:GLU90 3.4 16.5 1.0 OE2 C:GLU90 3.6 15.6 1.0 CD1 C:TYR50 3.8 19.9 1.0 CB C:SER48 4.1 17.8 1.0 OG C:SER48 4.1 24.5 1.0 CE1 C:TYR50 4.2 15.8 1.0 CE3 A:MBO988 4.2 27.6 1.0 CG C:TYR50 4.3 14.3 1.0 NZ A:LYS67 4.3 13.0 1.0 CE5 A:MBO988 4.5 29.0 1.0 CB C:TYR50 4.6 15.1 1.0 CG C:GLU90 4.6 14.2 1.0 CA A:CYS39 4.7 13.9 1.0 O C:HOH1924 4.7 34.7 1.0 OH A:TYR103 4.8 14.8 1.0 CH2 A:TRP106 4.9 18.3 1.0 CE4 A:MBO988 4.9 26.7 1.0

Mercury binding site 5 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg1666 b:34.9 occ:0.50 HG B:HG1666 0.0 34.9 0.5 SG B:CYS79 2.0 16.1 1.0 CB B:CYS79 2.4 21.6 1.0 CA B:CYS79 3.0 20.9 1.0 O B:HOH1713 3.1 27.2 1.0 HG B:HG1666 3.5 89.1 0.5 CD2 B:HIS83 3.5 35.6 1.0 NE2 B:HIS83 3.5 38.9 1.0 O B:CYS79 3.5 22.5 1.0 C B:CYS79 3.6 22.2 1.0 CE1 B:HIS83 4.3 39.5 1.0 CG B:HIS83 4.3 36.3 1.0 N B:CYS79 4.5 20.0 1.0 CB B:SER82 4.7 30.6 1.0 ND1 B:HIS83 4.8 38.1 1.0 N B:LEU80 4.9 22.4 1.0

Mercury binding site 6 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg1666 b:89.1 occ:0.50 HG B:HG1666 0.0 89.1 0.5 SG B:CYS79 1.8 16.1 1.0 CB B:CYS79 3.3 21.6 1.0 HG B:HG1666 3.5 34.9 0.5 CD1 B:LEU36 3.8 18.8 1.0 O B:HOH1713 4.3 27.2 1.0 CG B:GLU34 4.3 25.1 1.0 CB B:GLU34 4.4 18.8 1.0 OE2 B:GLU34 4.5 34.5 1.0 CD B:GLU34 4.6 30.0 1.0 CA B:CYS79 4.6 20.9 1.0 CG B:LEU36 4.9 15.7 1.0

Mercury binding site 7 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg989 b:29.9 occ:1.00 HG B:MBO989 0.0 29.9 1.0 O B:HOH1715 1.9 14.8 1.0 CE1 B:MBO989 2.2 38.9 1.0 SG B:CYS16 2.3 25.9 1.0 CE2 B:MBO989 3.0 37.6 1.0 CE6 B:MBO989 3.1 38.9 1.0 O B:THR17 3.2 21.5 1.0 O B:HOH1675 3.5 18.2 1.0 CB B:CYS16 3.6 18.4 1.0 CB B:PRO89 3.8 23.6 1.0 N B:THR17 4.0 18.2 1.0 C B:THR17 4.1 20.3 1.0 CE3 B:MBO989 4.3 39.7 1.0 CE5 B:MBO989 4.3 41.4 1.0 CA B:CYS16 4.5 17.3 1.0 CA B:PRO89 4.5 23.9 1.0 C B:CYS16 4.6 17.0 1.0 CA B:THR17 4.7 19.6 1.0 CD2 B:LEU80 4.7 19.8 1.0 CD1 B:LEU27 4.7 24.7 1.0 CE4 B:MBO989 4.8 41.9 1.0 N B:GLU90 4.9 23.2 1.0 SD B:MET64 4.9 22.1 1.0 N B:ALA18 5.0 20.5 1.0

Mercury binding site 8 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg990 b:19.0 occ:1.00 HG B:MBO990 0.0 19.0 1.0 CE1 B:MBO990 2.1 18.6 1.0 SG B:CYS39 2.2 15.1 1.0 CE2 B:MBO990 2.9 20.6 1.0 OE2 A:GLU90 2.9 20.5 1.0 CE6 B:MBO990 3.1 21.6 1.0 CB B:CYS39 3.3 12.6 1.0 CD A:GLU90 3.5 20.1 1.0 OE1 A:GLU90 3.5 20.9 1.0 CD1 A:TYR50 3.8 16.9 1.0 O A:HOH1380 3.9 27.9 1.0 CB A:SER48 4.1 16.7 1.0 OG A:SER48 4.2 19.8 1.0 CE1 A:TYR50 4.2 20.0 1.0 CE3 B:MBO990 4.2 23.5 1.0 CE5 B:MBO990 4.4 22.8 1.0 NZ B:LYS67 4.4 11.4 1.0 CG A:TYR50 4.5 13.9 1.0 OH B:TYR103 4.5 20.7 1.0 CA B:CYS39 4.7 11.2 1.0 CG A:GLU90 4.7 14.7 1.0 CB A:TYR50 4.8 12.6 1.0 CE4 B:MBO990 4.8 19.3 1.0

Mercury binding site 9 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg1888 b:18.1 occ:0.50 HG C:HG1888 0.0 18.1 0.5 SG C:CYS39 2.1 25.4 1.0 HG C:HG1888 2.2 59.1 0.5 OE2 B:GLU90 3.1 26.7 1.0 O B:HOH1695 3.3 31.7 1.0 CB C:CYS39 3.3 16.1 1.0 OE1 B:GLU90 3.5 23.4 1.0 CD B:GLU90 3.6 24.7 1.0 CD2 B:TYR50 4.1 25.2 1.0 CB B:SER48 4.1 22.4 1.0 NZ C:LYS67 4.2 21.8 1.0 O B:HOH1704 4.4 42.2 1.0 OG B:SER48 4.4 25.7 1.0 CG B:TYR50 4.6 22.3 1.0 CA C:CYS39 4.7 16.3 1.0 CE2 B:TYR50 4.7 27.8 1.0 CB B:TYR50 4.7 22.4 1.0 OH C:TYR103 4.9 23.1 1.0 CG B:GLU90 4.9 23.8 1.0

Mercury binding site 10 out of 23 in the Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 10 of Crystal Structure of CUTA1 From E.Coli at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg1888 b:59.1 occ:0.50 HG C:HG1888 0.0 59.1 0.5 HG C:HG1888 2.2 18.1 0.5 OE2 B:GLU90 2.5 26.7 1.0 CB C:CYS39 3.0 16.1 1.0 SG C:CYS39 3.1 25.4 1.0 OH C:TYR103 3.1 23.1 1.0 CD B:GLU90 3.3 24.7 1.0 CZ3 C:TRP106 3.4 24.2 1.0 CE1 C:TYR103 3.5 25.4 1.0 CH2 C:TRP106 3.6 25.4 1.0 CZ C:TYR103 3.7 23.4 1.0 OE1 B:GLU90 4.0 23.4 1.0 CG B:GLU90 4.2 23.8 1.0 CA C:CYS39 4.4 16.3 1.0 CE3 C:TRP106 4.5 22.5 1.0 O B:HOH1704 4.6 42.2 1.0 NZ C:LYS67 4.6 21.8 1.0 CD1 C:TYR103 4.7 27.1 1.0 CZ2 C:TRP106 4.8 25.2 1.0 CB B:GLU90 4.8 22.0 1.0 O B:HOH1695 5.0 31.7 1.0

F.Arnesano, L.Banci, M.Benvenuti, I.Bertini, V.Calderone, S.Mangani, M.S.Viezzoli. The Evolutionarily Conserved Trimeric Structure of CUTA1 Proteins Suggests A Role in Signal Transduction. J.Biol.Chem. V. 278 45999 2003.
ISSN: ISSN 0021-9258
PubMed: 12949080
DOI: 10.1074/JBC.M304398200