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Chlorine in PDB 2xd6: HSP90 Complexed with A Resorcylic Acid Macrolactone.

Protein crystallography data

The structure of HSP90 Complexed with A Resorcylic Acid Macrolactone., PDB code: 2xd6 was solved by S.M.Roe, C.Prodromou, L.H.Pearl, C.J.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.61 / 2.20
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 73.767, 73.767, 110.284, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 22.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the HSP90 Complexed with A Resorcylic Acid Macrolactone. (pdb code 2xd6). 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 HSP90 Complexed with A Resorcylic Acid Macrolactone., PDB code: 2xd6:

Chlorine binding site 1 out of 1 in 2xd6

Go back to Chlorine Binding Sites List in 2xd6
Chlorine binding site 1 out of 1 in the HSP90 Complexed with A Resorcylic Acid Macrolactone.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSP90 Complexed with A Resorcylic Acid Macrolactone. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1215

b:22.8
occ:1.00
CL1 A:XD61215 0.0 22.8 1.0
C6 A:XD61215 1.7 22.2 1.0
C7 A:XD61215 2.8 20.9 1.0
C5 A:XD61215 2.8 13.2 1.0
O4 A:XD61215 3.0 22.6 1.0
C8 A:XD61215 3.1 25.2 1.0
CD1 A:PHE124 3.1 9.3 1.0
C9 A:XD61215 3.3 29.7 1.0
ND2 A:ASN37 3.4 19.9 1.0
O5 A:XD61215 3.6 20.9 1.0
CG A:PHE124 3.7 19.2 1.0
CB A:PHE124 3.8 16.8 1.0
CE1 A:PHE124 3.9 19.1 1.0
C2 A:XD61215 4.1 20.0 1.0
C4 A:XD61215 4.2 17.0 1.0
C10 A:XD61215 4.2 34.5 1.0
CD2 A:LEU93 4.3 22.2 1.0
CG A:ASN37 4.3 19.4 1.0
CB A:ASN37 4.4 15.4 1.0
C3 A:XD61215 4.7 11.2 1.0
CD2 A:PHE124 4.7 18.7 1.0
CA A:PHE124 4.7 15.9 1.0
CD1 A:LEU173 4.7 8.9 1.0
CD2 A:LEU173 4.7 13.3 1.0
O A:HOH2137 4.9 18.0 1.0
CZ A:PHE124 4.9 18.6 1.0

Reference:

J.E.H.Day, S.Y.Sharp, M.G.Rowlands, W.Aherne, W.Lewis, S.M.Roe, C.Prodromou, L.H.Pearl, P.Workman, C.J.Moody. Inhibition of HSP90 with Resorcylic Acid Macrolactones. Synthesis and Binding Studies. Chemistry V. 16 10366 2010.
ISSN: ISSN 0947-6539
PubMed: 20661961
DOI: 10.1002/CHEM.201001119
Page generated: Sat Dec 12 09:25:35 2020

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