Chlorine in PDB 1sf8: Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90

The structure of Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90, PDB code: 1sf8 was solved by S.F.Harris, A.K.Shiau, D.A.Agard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.90 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	103.516, 103.516, 249.738, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.1

The structure of Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90 also contains other interesting chemical elements:

Nickel

(Ni)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90 (pdb code 1sf8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90, PDB code: 1sf8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl703 b:64.5 occ:1.00 OG1 E:THR535 3.2 48.5 1.0 N E:THR533 3.6 59.8 1.0 N E:ASP534 3.9 55.0 1.0 N E:THR535 3.9 49.8 1.0 CB E:THR535 3.9 48.0 1.0 CD2 E:LEU532 4.2 52.8 1.0 CA E:THR533 4.4 60.0 1.0 CA E:LEU532 4.4 58.3 1.0 C E:LEU532 4.5 59.1 1.0 C E:THR533 4.5 57.4 1.0 CB E:THR533 4.5 61.5 1.0 CA E:THR535 4.5 46.8 1.0 CB E:LEU532 4.7 55.9 1.0 CA E:ASP534 4.7 53.2 1.0 C E:ASP534 4.7 51.2 1.0 CB E:ASP534 4.8 55.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl704 b:91.0 occ:1.00 N F:THR533 3.6 73.3 1.0 CD2 F:LEU532 3.7 63.1 1.0 OG1 F:THR535 3.7 63.9 1.0 CB F:THR535 4.0 65.1 1.0 CA F:LEU532 4.2 70.6 1.0 N F:THR535 4.4 69.3 1.0 CB F:THR533 4.4 74.5 1.0 C F:LEU532 4.4 71.8 1.0 N F:ASP534 4.5 75.6 1.0 CA F:THR533 4.5 74.3 1.0 OG1 F:THR533 4.6 74.7 1.0 O F:ARG531 4.7 72.2 1.0 CB F:LEU532 4.8 67.2 1.0 CG F:LEU532 4.9 63.8 1.0 CA F:THR535 4.9 66.0 1.0 C F:THR533 4.9 75.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Carboxy-Terminal Domain of Htpg, the E. Coli HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl705 b:85.4 occ:1.00 N H:ALA537 2.7 35.5 1.0 NE2 H:GLN599 2.8 40.3 1.0 CD H:PRO536 2.8 39.2 1.0 O H:ALA537 2.8 36.4 1.0 CG H:PRO536 3.0 37.9 1.0 N H:PRO536 3.0 38.4 1.0 CG2 H:THR535 3.3 40.1 1.0 C H:ALA537 3.6 36.2 1.0 C H:PRO536 3.6 36.4 1.0 CA H:ALA537 3.6 36.3 1.0 CA H:PRO536 3.6 37.4 1.0 OG1 H:THR535 3.7 38.6 1.0 C H:THR535 3.8 39.1 1.0 CB H:THR535 3.9 37.9 1.0 CB H:PRO536 4.0 36.0 1.0 CD H:GLN599 4.0 42.7 1.0 CA H:THR535 4.1 39.7 1.0 CB H:ALA537 4.2 36.5 1.0 ND2 B:ASN619 4.3 41.4 1.0 CG H:GLN599 4.6 40.2 1.0 O H:THR535 4.7 38.1 1.0 O H:PRO536 4.8 36.0 1.0 N H:ILE538 4.9 35.0 1.0 OE1 H:GLN599 4.9 47.0 1.0

S.F.Harris, A.K.Shiau, D.A.Agard. The Crystal Structure of the Carboxy-Terminal Dimerization Domain of Htpg, the Escherichia Coli HSP90, Reveals A Potential Substrate Binding Site. Structure V. 12 1087 2004.
ISSN: ISSN 0969-2126
PubMed: 15274928
DOI: 10.1016/J.STR.2004.03.020