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Chlorine in PDB 2yi0: Structural Characterization of 5-Aryl-4-(5-Substituted-2-4- Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors.

Protein crystallography data

The structure of Structural Characterization of 5-Aryl-4-(5-Substituted-2-4- Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors., PDB code: 2yi0 was solved by S.M.Roe, C.Prodromou, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.67 / 1.60
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 65.430, 89.315, 100.090, 90.00, 90.00, 90.00
R / Rfree (%) 19.712 / 23.39

Other elements in 2yi0:

The structure of Structural Characterization of 5-Aryl-4-(5-Substituted-2-4- Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors. also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural Characterization of 5-Aryl-4-(5-Substituted-2-4- Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors. (pdb code 2yi0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structural Characterization of 5-Aryl-4-(5-Substituted-2-4- Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors., PDB code: 2yi0:

Chlorine binding site 1 out of 1 in 2yi0

Go back to Chlorine Binding Sites List in 2yi0
Chlorine binding site 1 out of 1 in the Structural Characterization of 5-Aryl-4-(5-Substituted-2-4- Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Characterization of 5-Aryl-4-(5-Substituted-2-4- Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1225

b:12.5
occ:1.00
CL A:YI01225 0.0 12.5 1.0
C24 A:YI01225 1.8 9.6 1.0
C25 A:YI01225 2.7 11.2 1.0
C23 A:YI01225 2.7 10.0 1.0
O29 A:YI01225 2.9 11.1 1.0
O A:HOH2087 3.2 19.0 1.0
CD1 A:PHE138 3.4 7.6 1.0
ND2 A:ASN51 3.6 12.9 1.0
CG A:PHE138 3.7 7.6 1.0
CB A:PHE138 3.8 8.3 1.0
C6 A:YI01225 4.0 7.1 1.0
C22 A:YI01225 4.1 9.1 1.0
CE1 A:PHE138 4.1 8.2 1.0
CB A:LEU107 4.4 12.8 1.0
C21 A:YI01225 4.5 10.9 1.0
CD2 A:LEU107 4.5 21.4 1.0
CB A:ASN51 4.5 8.0 1.0
CG A:ASN51 4.5 10.6 1.0
CD2 A:PHE138 4.8 8.8 1.0
CA A:PHE138 4.8 9.0 1.0
CE A:MET98 4.8 15.1 1.0
O A:LEU107 4.9 12.0 1.0
CD2 A:LEU48 4.9 9.4 1.0
CG2 A:VAL186 4.9 10.2 1.0

Reference:

S.Y.Sharp, S.M.Roe, E.Kazlauskas, I.Cikotiene, P.Workman, D.Matulis, C.Prodromou. Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3- Thiadiazole HSP90 Inhibitors. Plos One V. 7E44642 2012.
ISSN: ISSN 1932-6203
PubMed: 22984537
DOI: 10.1371/JOURNAL.PONE.0044642
Page generated: Sat Dec 12 09:29:00 2020

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