Cadmium in PDB 4q63: Crystal Structure of Legionella Uncharacterized Protein LPG0364

The structure of Crystal Structure of Legionella Uncharacterized Protein LPG0364, PDB code: 4q63 was solved by Y.Kim, E.Evdokimova, A.Savchenko, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.16 / 1.95
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	82.117, 82.117, 38.689, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 22.1

The structure of Crystal Structure of Legionella Uncharacterized Protein LPG0364 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Cadmium atom in the Crystal Structure of Legionella Uncharacterized Protein LPG0364 (pdb code 4q63). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 5 binding sites of Cadmium where determined in the Crystal Structure of Legionella Uncharacterized Protein LPG0364, PDB code: 4q63:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5;

Cadmium binding site 1 out of 5 in the Crystal Structure of Legionella Uncharacterized Protein LPG0364


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 Legionella Uncharacterized Protein LPG0364 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd201 b:42.3 occ:1.00 OE1 A:GLU60 2.5 42.3 1.0 O A:HOH329 2.5 47.8 1.0 OE2 A:GLU60 2.6 49.1 1.0 CL A:CL209 2.6 68.1 1.0 O A:HOH327 2.7 52.3 1.0 CD A:GLU60 2.9 43.6 1.0 O A:HOH336 4.3 57.9 1.0 CG A:GLU60 4.4 43.4 1.0 O A:HOH328 4.6 43.6 1.0

Cadmium binding site 2 out of 5 in the Crystal Structure of Legionella Uncharacterized Protein LPG0364


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 Legionella Uncharacterized Protein LPG0364 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd202 b:32.0 occ:0.75 O A:HOH325 2.4 33.3 1.0 OE2 A:GLU64 2.6 32.0 1.0 OE1 A:GLU64 2.6 33.5 1.0 CD A:GLU64 2.9 28.7 1.0 O A:HOH337 3.2 69.9 1.0 O A:HOH349 4.0 70.3 1.0 O A:HOH338 4.0 46.5 1.0 CG A:GLU64 4.3 31.9 1.0 ND1 A:HIS76 4.8 34.9 1.0

Cadmium binding site 3 out of 5 in the Crystal Structure of Legionella Uncharacterized Protein LPG0364


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 Legionella Uncharacterized Protein LPG0364 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:45.5 occ:1.00 ND1 A:HIS55 2.4 45.9 1.0 OE2 A:GLU96 2.6 57.9 1.0 O1 A:FMT206 2.6 41.3 1.0 O2 A:FMT206 2.6 57.4 1.0 OE1 A:GLU96 2.7 76.0 1.0 C A:FMT206 2.9 46.6 1.0 CD A:GLU96 2.9 68.1 1.0 CE1 A:HIS55 3.3 52.9 1.0 CG A:HIS55 3.4 50.4 1.0 CB A:HIS55 3.7 43.1 1.0 NE A:ARG92 4.0 70.4 1.0 O A:HOH330 4.1 41.4 1.0 NH2 A:ARG92 4.3 84.6 1.0 NE2 A:HIS55 4.4 50.0 1.0 CG A:GLU96 4.4 71.2 1.0 CD2 A:HIS55 4.5 48.8 1.0 CZ A:ARG92 4.6 81.5 1.0 CD A:ARG92 4.9 65.2 1.0 CD1 A:LEU93 5.0 50.4 1.0

Cadmium binding site 4 out of 5 in the Crystal Structure of Legionella Uncharacterized Protein LPG0364


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 Legionella Uncharacterized Protein LPG0364 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd204 b:38.4 occ:0.50 O A:HOH324 2.6 55.2 1.0 O A:HOH344 2.6 50.0 1.0 OD1 A:ASP70 2.6 74.1 1.0 O2 A:FMT207 2.7 58.9 1.0 O1 A:FMT207 2.7 71.6 1.0 OD2 A:ASP70 2.9 84.1 1.0 C A:FMT207 3.0 64.7 1.0 CG A:ASP70 3.1 81.3 1.0 ND2 A:ASN71 3.5 72.5 1.0 O A:HOH343 4.4 66.2 1.0 CG A:ASN71 4.5 73.1 1.0 CB A:ASP70 4.5 73.1 1.0 CB A:ASN71 4.9 67.3 1.0

Cadmium binding site 5 out of 5 in the Crystal Structure of Legionella Uncharacterized Protein LPG0364


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 Legionella Uncharacterized Protein LPG0364 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd205 b:72.5 occ:0.50 OE1 A:GLU47 2.7 49.1 0.4 O A:HOH340 2.8 46.8 1.0 CD A:GLU47 3.0 44.7 0.0 OE2 A:GLU47 3.2 42.9 0.8 O A:HOH331 3.3 51.0 1.0 O A:HOH349 4.0 70.3 1.0 O A:HOH320 4.0 55.1 1.0 O A:HOH337 4.1 69.9 1.0 CG A:GLU47 4.2 42.6 0.7

Y.Kim, E.Evdokimova, A.Savchenko, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of Legionella Uncharacterized Protein LPG0364 To Be Published.