Cadmium in PDB 1fnw: Crystal Structure of Streptococcal Pyrogenic Exotoxin A

The structure of Crystal Structure of Streptococcal Pyrogenic Exotoxin A, PDB code: 1fnw was solved by C.A.Earhart, G.M.Vath, M.Roggiani, P.M.Schlivert, D.H.Ohlendorf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	226.230, 226.230, 81.610, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 30.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Cadmium atom in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A (pdb code 1fnw). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 32 binding sites of Cadmium where determined in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A, PDB code: 1fnw:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd222 b:2.5 occ:1.00 SG A:CYS90 2.1 2.5 1.0 CB A:CYS90 2.3 4.8 1.0 CD A:CD225 3.7 34.3 1.0 CD A:CD223 3.8 15.1 1.0 CA A:CYS90 3.8 7.8 1.0 CD C:CD224 4.1 2.5 1.0 N A:CYS90 4.5 7.3 1.0 CB A:ALA93 4.6 19.4 1.0 C A:CYS90 4.8 7.1 1.0

Cadmium binding site 2 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd223 b:15.1 occ:1.00 OD2 A:ASP39 1.5 9.1 1.0 CG A:ASP39 2.3 10.8 1.0 OD1 A:ASP39 3.0 10.0 1.0 CB A:ASP39 3.2 12.9 1.0 CD A:CD225 3.3 34.3 1.0 CD C:CD224 3.8 2.5 1.0 CD A:CD222 3.8 2.5 1.0 SG A:CYS90 4.1 2.5 1.0 CA A:ASP39 4.6 13.5 1.0 CB A:CYS90 4.9 4.8 1.0

Cadmium binding site 3 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd225 b:34.3 occ:1.00 SG A:CYS90 3.1 2.5 1.0 CD A:CD223 3.3 15.1 1.0 CD A:CD222 3.7 2.5 1.0 CD C:CD224 4.0 2.5 1.0 OD2 A:ASP39 4.5 9.1 1.0 OE1 C:GLU691 4.7 2.8 1.0 CB A:CYS90 4.8 4.8 1.0

Cadmium binding site 4 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd824 b:2.5 occ:1.00 OE2 A:GLU91 1.6 2.5 1.0 OE1 A:GLU91 2.0 2.5 1.0 CD A:GLU91 2.0 2.6 1.0 SG C:CYS690 2.6 2.5 1.0 CA C:CYS690 3.1 7.6 1.0 CB C:CYS690 3.2 3.8 1.0 CG A:GLU91 3.5 6.0 1.0 CD C:CD823 3.6 10.6 1.0 N C:GLU691 3.8 7.2 1.0 C C:CYS690 4.0 6.3 1.0 O C:LEU689 4.2 8.0 1.0 CD C:CD822 4.2 2.5 1.0 N C:CYS690 4.3 7.4 1.0 CD C:CD825 4.4 70.4 1.0 CB A:GLU91 4.5 6.7 1.0 C C:LEU689 4.7 7.7 1.0 OD1 C:ASP639 4.8 13.7 1.0 OD2 C:ASP639 4.9 13.0 1.0 CG C:GLU691 4.9 5.6 1.0

Cadmium binding site 5 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd522 b:2.5 occ:1.00 SG B:CYS390 2.0 4.7 1.0 CB B:CYS390 2.4 7.6 1.0 CD B:CD523 3.7 11.6 1.0 CA B:CYS390 3.8 8.4 1.0 CD B:CD525 3.9 24.4 1.0 CD D:CD524 4.1 2.5 1.0 CB B:ALA393 4.4 19.2 1.0 N B:CYS390 4.6 8.6 1.0 C B:CYS390 4.8 7.8 1.0

Cadmium binding site 6 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd523 b:11.6 occ:1.00 OD2 B:ASP339 1.9 7.8 1.0 CG B:ASP339 2.5 8.9 1.0 CB B:ASP339 3.2 11.5 1.0 OD1 B:ASP339 3.2 7.9 1.0 CD B:CD525 3.4 24.4 1.0 CD D:CD524 3.6 2.5 1.0 CD B:CD522 3.7 2.5 1.0 SG B:CYS390 3.8 4.7 1.0 CB B:CYS390 4.7 7.6 1.0 CA B:ASP339 4.7 13.4 1.0 OE2 D:GLU991 4.7 2.5 1.0

Cadmium binding site 7 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd525 b:24.4 occ:1.00 SG B:CYS390 3.3 4.7 1.0 CD B:CD523 3.4 11.6 1.0 CD B:CD522 3.9 2.5 1.0 CD D:CD524 4.1 2.5 1.0 OD2 B:ASP339 4.6 7.8 1.0 OE1 D:GLU991 4.8 2.5 1.0

Cadmium binding site 8 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd1124 b:2.5 occ:1.00 OE2 B:GLU391 1.6 2.5 1.0 OE1 B:GLU391 2.1 2.5 1.0 CD B:GLU391 2.1 2.6 1.0 SG D:CYS990 2.8 2.5 1.0 CA D:CYS990 3.1 7.3 1.0 CB D:CYS990 3.3 5.0 1.0 CD D:CD1123 3.7 2.5 1.0 CG B:GLU391 3.7 5.1 1.0 N D:GLU991 3.7 7.2 1.0 C D:CYS990 3.9 6.6 1.0 O D:LEU989 4.2 10.4 1.0 CD D:CD1122 4.2 2.5 1.0 N D:CYS990 4.3 7.9 1.0 CD D:CD1125 4.5 60.5 1.0 C D:LEU989 4.6 9.2 1.0 CB B:GLU391 4.7 6.8 1.0 OD1 D:ASP939 4.7 13.7 1.0 OD2 D:ASP939 4.9 11.8 1.0 CG D:GLU991 4.9 4.9 1.0

Cadmium binding site 9 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cd224 b:2.5 occ:1.00 OE2 C:GLU691 1.6 2.5 1.0 CD C:GLU691 2.2 4.6 1.0 OE1 C:GLU691 2.3 2.8 1.0 SG A:CYS90 2.7 2.5 1.0 CA A:CYS90 3.0 7.8 1.0 CB A:CYS90 3.1 4.8 1.0 N A:GLU91 3.7 8.7 1.0 CG C:GLU691 3.7 5.6 1.0 CD A:CD223 3.8 15.1 1.0 C A:CYS90 3.9 7.1 1.0 CD A:CD225 4.0 34.3 1.0 CD A:CD222 4.1 2.5 1.0 N A:CYS90 4.2 7.3 1.0 O A:LEU89 4.3 8.9 1.0 OD1 A:ASP39 4.3 10.0 1.0 OD2 A:ASP39 4.7 9.1 1.0 C A:LEU89 4.7 8.2 1.0 CG A:ASP39 4.7 10.8 1.0 CB C:GLU691 4.8 8.0 1.0

Cadmium binding site 10 out of 32 in the Crystal Structure of Streptococcal Pyrogenic Exotoxin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of Crystal Structure of Streptococcal Pyrogenic Exotoxin A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cd822 b:2.5 occ:1.00 SG C:CYS690 2.2 2.5 1.0 CB C:CYS690 2.4 3.8 1.0 CD C:CD823 3.5 10.6 1.0 CD C:CD825 3.8 70.4 1.0 CA C:CYS690 3.9 7.6 1.0 CD A:CD824 4.2 2.5 1.0 N C:CYS690 4.6 7.4 1.0 CB C:ALA693 4.8 19.9 1.0 C C:CYS690 4.8 6.3 1.0

C.A.Earhart, G.M.Vath, M.Roggiani, P.M.Schlievert, D.H.Ohlendorf. Structure of Streptococcal Pyrogenic Exotoxin A Reveals A Novel Metal Cluster. Protein Sci. V. 9 1847 2000.
ISSN: ISSN 0961-8368
PubMed: 11045630