Cadmium in PDB 1hk7: Middle Domain of HSP90

The structure of Middle Domain of HSP90, PDB code: 1hk7 was solved by P.Meyer, C.Prodromou, S.M.Roe, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.68 / 2.50
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	112.879, 112.879, 112.059, 90.00, 90.00, 120.00
R / Rfree (%)	24 / 27.7

The structure of Middle Domain of HSP90 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Cadmium atom in the Middle Domain of HSP90 (pdb code 1hk7). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 6 binding sites of Cadmium where determined in the Middle Domain of HSP90, PDB code: 1hk7:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6;

Cadmium binding site 1 out of 6 in the Middle Domain of HSP90


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Middle Domain of HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1528 b:44.9 occ:1.00 OE1 A:GLU409 2.2 37.7 1.0 O A:HOH2048 2.3 48.4 1.0 OE1 B:GLU409 2.3 40.4 1.0 OE2 A:GLU409 2.4 43.8 1.0 OE2 B:GLU409 2.4 42.6 1.0 OE1 A:GLU406 2.6 54.5 1.0 CD A:GLU409 2.6 41.9 1.0 CD B:GLU409 2.7 43.3 1.0 OE1 B:GLU406 2.8 69.0 1.0 OE2 B:GLU406 2.8 66.1 1.0 CD B:GLU406 3.1 64.7 1.0 OE2 A:GLU406 3.3 55.0 1.0 CD A:GLU406 3.3 52.7 1.0 CG A:GLU409 4.1 42.5 1.0 CG B:GLU409 4.2 42.2 1.0 CG B:GLU406 4.5 63.3 1.0 O B:HOH2046 4.5 50.2 1.0 O A:HOH2047 4.7 56.2 1.0 CG A:GLU406 4.8 53.5 1.0

Cadmium binding site 2 out of 6 in the Middle Domain of HSP90


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Middle Domain of HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1529 b:0.8 occ:1.00 OE1 A:GLU415 3.1 91.9 1.0 OE1 A:GLU453 3.1 0.3 1.0 OE2 A:GLU453 3.2 0.4 1.0 OE2 A:GLU412 3.2 91.4 1.0 O A:HOH2078 3.3 0.4 1.0 CD A:GLU453 3.4 0.6 1.0 OE1 A:GLU412 3.4 92.0 1.0 CD A:GLU412 3.7 91.0 1.0 CD A:GLU415 3.9 88.9 1.0 O A:HOH2056 4.3 93.5 1.0 CG A:GLU415 4.6 84.8 1.0 CG A:GLU453 4.7 0.7 1.0 OE2 A:GLU415 4.7 90.0 1.0

Cadmium binding site 3 out of 6 in the Middle Domain of HSP90


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Middle Domain of HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1530 b:68.9 occ:1.00 O A:HOH2093 2.2 37.7 1.0 OE1 A:GLU507 2.5 72.5 1.0 OE2 A:GLU507 2.5 74.1 1.0 CD A:GLU507 2.8 73.6 1.0 O A:GLY476 3.9 85.1 1.0 C A:GLY476 4.2 86.5 1.0 CG A:GLU507 4.3 71.0 1.0 N A:GLY476 4.4 83.3 1.0 CA A:GLY476 4.6 85.1 1.0 N A:GLU477 4.7 89.0 1.0 CB A:THR475 4.7 80.5 1.0 OG1 A:THR475 4.7 78.9 1.0 CG A:PRO504 4.9 66.6 1.0

Cadmium binding site 4 out of 6 in the Middle Domain of HSP90


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Middle Domain of HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1531 b:74.1 occ:1.00 NE2 A:HIS430 2.7 74.8 1.0 OE1 A:GLU431 3.0 71.0 1.0 OE2 A:GLU431 3.2 66.7 1.0 CD2 A:HIS430 3.3 71.6 1.0 CD A:GLU431 3.4 67.0 1.0 CE1 A:HIS430 3.7 74.3 1.0 CG A:HIS430 4.5 71.8 1.0 ND1 A:HIS430 4.6 73.5 1.0 CG A:GLU431 4.8 66.7 1.0

Cadmium binding site 5 out of 6 in the Middle Domain of HSP90


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Middle Domain of HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1532 b:0.4 occ:1.00 OE2 A:GLU372 2.6 89.7 1.0 OD1 A:ASP373 3.5 98.5 1.0 CD A:GLU372 3.6 91.0 1.0 CG A:GLU372 4.0 88.0 1.0 O A:GLU372 4.2 83.8 1.0 NE A:ARG346 4.5 70.8 1.0 CD A:ARG346 4.7 70.4 1.0 OE1 A:GLU372 4.7 93.8 1.0 CG A:ASP373 4.7 98.7 1.0 C A:GLU372 4.9 84.7 1.0

Cadmium binding site 6 out of 6 in the Middle Domain of HSP90


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Middle Domain of HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd1529 b:0.2 occ:1.00 OE1 B:GLU453 2.7 99.3 1.0 OE1 B:GLU415 2.7 74.3 1.0 OE2 B:GLU415 3.3 73.1 1.0 CD B:GLU415 3.4 70.4 1.0 OE1 B:GLU412 3.4 82.2 1.0 O B:HOH2065 3.5 71.7 1.0 CD B:GLU453 3.5 97.6 1.0 OE2 B:GLU453 3.5 99.1 1.0 OE2 B:GLU412 3.6 83.2 1.0 O B:HOH2078 3.7 79.4 1.0 CD B:GLU412 3.9 81.2 1.0 O B:HOH2050 4.3 71.5 1.0 O B:HOH2049 4.4 69.3 1.0 CG B:GLU415 4.7 67.4 1.0 CG B:GLU453 4.9 95.7 1.0

P.Meyer, C.Prodromou, B.Hu, C.Vaughan, S.M.Roe, B.Panaretou, P.W.Piper, L.H.Pearl. Structural and Functional Analysis of the Middle Segment of HSP90. Implications For Atp Hydrolysis and Client Protein and Cochaperone Interactions Mol.Cell V. 11 647 2003.
ISSN: ISSN 1097-2765
PubMed: 12667448
DOI: 10.1016/S1097-2765(03)00065-0