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Cadmium in PDB 1hk7: Middle Domain of HSP90

Protein crystallography data

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

Cadmium Binding Sites:

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 1hk7

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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 1hk7

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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 1hk7

Go back to Cadmium Binding Sites List in 1hk7
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 1hk7

Go back to Cadmium Binding Sites List in 1hk7
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 1hk7

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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 1hk7

Go back to Cadmium Binding Sites List in 1hk7
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

Reference:

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
Page generated: Fri Aug 28 11:55:13 2020
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