Cadmium in PDB 4utp: Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State

The structure of Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State, PDB code: 4utp was solved by Z.Luo, R.M.Counago, M.Maher, B.Kobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.97 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.239, 47.911, 101.524, 90.00, 106.96, 90.00
R / Rfree (%)	22.052 / 26.028

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Cadmium atom in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State (pdb code 4utp). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 25 binding sites of Cadmium where determined in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State, PDB code: 4utp:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1315 b:26.2 occ:1.00 OD2 A:ASP280 2.1 36.6 1.0 NE2 A:HIS139 2.3 32.3 1.0 NE2 A:HIS67 2.3 27.2 1.0 OE1 A:GLU205 2.4 19.7 1.0 OE2 A:GLU205 2.5 22.9 1.0 OD1 A:ASP280 2.7 37.3 1.0 CG A:ASP280 2.7 36.6 1.0 CD A:GLU205 2.7 22.3 1.0 CE1 A:HIS67 3.2 26.7 1.0 CE1 A:HIS139 3.2 30.5 1.0 CD2 A:HIS139 3.3 31.7 1.0 CD2 A:HIS67 3.3 26.7 1.0 ND2 A:ASN226 3.9 27.9 1.0 O A:HOH2062 4.2 28.2 1.0 CG A:ASN226 4.2 30.1 1.0 CB A:ASP280 4.2 34.6 1.0 CG A:GLU205 4.2 24.1 1.0 ND1 A:HIS67 4.3 26.3 1.0 O A:HOH2056 4.4 27.7 0.9 CG A:HIS67 4.4 27.6 1.0 ND1 A:HIS139 4.4 31.5 1.0 CG A:HIS139 4.4 30.6 1.0 CB A:ALA207 4.6 30.6 1.0 OD1 A:ASN226 4.6 30.1 1.0 CD1 A:LEU92 4.7 29.4 1.0 CB A:ASN226 4.8 31.2 1.0

Cadmium binding site 2 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1316 b:34.2 occ:0.66 ND1 A:HIS57 2.4 34.5 1.0 O A:HOH2009 2.5 18.9 1.0 O A:HOH2075 2.6 30.4 1.0 CE1 A:HIS57 3.2 34.0 1.0 CD A:CD1326 3.3 51.4 0.6 CG A:HIS57 3.5 34.0 1.0 CB A:HIS57 3.9 33.8 1.0 CA A:HIS57 4.0 33.3 1.0 NE2 A:HIS57 4.4 35.4 1.0 O A:LEU56 4.5 30.9 1.0 CD2 A:HIS57 4.5 35.0 1.0 N A:SER58 4.6 32.8 1.0 C A:HIS57 4.9 33.0 1.0

Cadmium binding site 3 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1317 b:52.3 occ:0.78 O A:HOH2064 2.2 33.7 1.0 O A:HOH2012 2.5 39.2 1.0 OE2 A:GLU230 2.6 50.0 1.0 OE1 A:GLU230 2.8 47.1 1.0 O A:HOH2076 2.9 42.3 1.0 CD A:GLU230 3.1 48.0 1.0 O A:HOH2013 3.1 44.4 1.0 O A:ASN226 4.1 37.0 1.0 OD2 A:ASP65 4.3 40.9 1.0 CD A:CD1318 4.3 37.4 0.6 OE2 A:GLU68 4.4 40.1 1.0 CG A:GLU230 4.5 46.5 1.0 CG A:ASP65 4.7 38.0 1.0

Cadmium binding site 4 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1318 b:37.4 occ:0.55 O A:HOH2076 2.4 42.3 1.0 OE2 A:GLU68 2.4 40.1 1.0 OE1 A:GLU68 2.7 40.1 1.0 CD A:GLU68 2.9 40.3 1.0 O A:HOH2012 4.2 39.2 1.0 O A:THR227 4.2 43.6 1.0 CD A:CD1317 4.3 52.3 0.8 CG A:GLU68 4.4 39.2 1.0 O A:ASN226 4.8 37.0 1.0 C A:THR227 4.8 44.3 1.0 CA A:THR227 4.9 42.5 1.0

Cadmium binding site 5 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1319 b:50.6 occ:0.67 OE2 A:GLU305 2.1 50.0 1.0 CD A:CD1322 2.2 58.1 0.7 OD2 A:ASP301 2.3 43.9 1.0 OD1 A:ASP301 2.8 42.4 1.0 CG A:ASP301 2.9 40.8 1.0 CD A:GLU305 3.1 45.7 1.0 CG A:GLU305 3.8 43.6 1.0 OE1 A:GLU305 4.1 46.8 1.0 CB A:ASP301 4.4 38.1 1.0 NZ A:LYS302 4.8 43.4 1.0 O A:ASP301 4.9 32.7 1.0 O A:HOH2052 4.9 63.1 1.0 C A:ASP301 5.0 34.3 1.0

Cadmium binding site 6 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1320 b:52.4 occ:0.66 O A:HOH2072 2.0 39.2 1.0 O A:HOH2073 2.5 42.4 1.0 OD2 A:ASP290 2.6 35.9 1.0 OD1 A:ASP290 2.7 33.8 1.0 CG A:ASP290 3.0 33.1 1.0 O A:LYS287 4.1 39.5 1.0 NE2 A:GLN285 4.2 54.6 1.0 N A:GLY286 4.4 42.6 1.0 CB A:ASP290 4.5 32.7 1.0 CA A:GLY286 4.5 43.6 1.0 C A:GLY286 4.8 43.9 1.0

Cadmium binding site 7 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1321 b:84.8 occ:0.88 O A:GLU186 2.3 45.3 1.0 O A:HOH2051 2.7 50.4 1.0 OD1 A:ASP189 2.8 48.4 1.0 C A:GLU186 3.5 43.8 1.0 CG A:ASP189 3.7 47.6 1.0 OD2 A:ASP189 3.9 50.5 1.0 NZ B:LYS133 4.1 57.9 1.0 CA A:GLU186 4.2 44.3 1.0 N A:SER187 4.5 41.3 1.0 CB A:GLU186 4.5 45.6 1.0 CA A:SER187 4.7 40.0 1.0 N A:LYS190 4.9 41.0 1.0

Cadmium binding site 8 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1322 b:58.1 occ:0.71 CD A:CD1319 2.2 50.6 0.7 OD1 A:ASP301 2.3 42.4 1.0 O A:HOH2052 3.2 63.1 1.0 CG A:ASP301 3.2 40.8 1.0 OE2 A:GLU305 3.3 50.0 1.0 OD2 A:ASP301 3.5 43.9 1.0 CG A:GLU305 3.6 43.6 1.0 CD A:GLU305 3.8 45.7 1.0 O A:ASP301 4.4 32.7 1.0 CB A:ASP301 4.6 38.1 1.0 CA A:ASP301 4.8 35.4 1.0 C A:ASP301 4.8 34.3 1.0

Cadmium binding site 9 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1323 b:66.5 occ:0.59 OE2 A:GLU186 2.0 55.3 1.0 O A:HOH2049 2.2 40.8 1.0 CD A:GLU186 3.0 52.5 1.0 OE1 A:GLU186 3.4 55.8 1.0 CG A:GLU186 4.3 50.0 1.0 CE A:LYS182 4.5 50.4 1.0 NZ A:LYS182 4.6 52.8 1.0

Cadmium binding site 10 out of 25 in the Crystal Structure of Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State


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 Pneumococcal Surface Antigen Psaa in the Cd-Bound, Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1324 b:57.4 occ:0.57 OE2 A:GLU70 2.3 46.5 1.0 OE1 A:GLU70 2.7 44.2 1.0 CD A:GLU70 2.8 44.0 1.0 CG A:GLU70 4.3 41.0 1.0

S.L.Begg, B.A.Eijkelkamp, Z.Luo, R.M.Counago, J.R.Morey, M.J.Maher, B.Kobe, M.L.Omara, J.C.Paton, C.A.Mcdevitt. Crystal Structure of Pneumococcal Surface Antigen Psaa To Be Published.