Atomistry » Bromine » PDB 2xpn-3bnq » 3bm9
Atomistry »
  Bromine »
    PDB 2xpn-3bnq »
      3bm9 »

Bromine in PDB 3bm9: Discovery of Benzisoxazoles As Potent Inhibitors of Chaperone HSP90

Protein crystallography data

The structure of Discovery of Benzisoxazoles As Potent Inhibitors of Chaperone HSP90, PDB code: 3bm9 was solved by A.Gopalsamy, M.Shi, E.M.Vogan, J.Golas, J.Jacob, J.Johnson, F.Lee, R.Nilakantan, R.Peterson, K.Svenson, M.S.Tam, Y.Wen, R.Chopra, J.Ellingboe, K.Arndt, F.Boschelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.65 / 1.60
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 66.089, 89.033, 100.172, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 18.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Discovery of Benzisoxazoles As Potent Inhibitors of Chaperone HSP90 (pdb code 3bm9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Discovery of Benzisoxazoles As Potent Inhibitors of Chaperone HSP90, PDB code: 3bm9:

Bromine binding site 1 out of 1 in 3bm9

Go back to Bromine Binding Sites List in 3bm9
Bromine binding site 1 out of 1 in the Discovery of Benzisoxazoles As Potent Inhibitors of Chaperone HSP90


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Discovery of Benzisoxazoles As Potent Inhibitors of Chaperone HSP90 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:14.8
occ:0.70
BR1 A:BXZ1 0.0 14.8 0.7
C10 A:BXZ1 1.9 6.6 0.8
C11 A:BXZ1 2.8 12.7 0.8
C9 A:BXZ1 2.9 13.6 0.8
O4 A:BXZ1 3.0 11.0 0.8
CD1 A:PHE138 3.3 11.7 1.0
O A:HOH289 3.3 19.9 1.0
CG A:PHE138 3.7 7.3 1.0
CB A:PHE138 3.9 10.9 1.0
ND2 A:ASN51 3.9 15.6 1.0
CE1 A:PHE138 4.0 11.9 1.0
CB A:LEU107 4.1 12.1 1.0
C12 A:BXZ1 4.1 11.4 0.8
C8 A:BXZ1 4.2 10.7 0.8
CG A:LEU107 4.4 14.3 1.0
CE A:MET98 4.6 14.8 1.0
C13 A:BXZ1 4.6 11.7 0.8
O A:LEU107 4.7 12.5 1.0
CD2 A:PHE138 4.8 11.1 1.0
CG A:ASN51 4.8 16.9 1.0
CG2 A:VAL186 4.9 11.0 1.0
CB A:ASN51 4.9 10.4 1.0
CD1 A:LEU107 4.9 18.6 1.0
CA A:PHE138 5.0 10.2 1.0
CZ A:PHE138 5.0 13.1 1.0
O A:HOH354 5.0 28.4 1.0

Reference:

A.Gopalsamy, M.Shi, J.Golas, E.Vogan, J.Jacob, M.Johnson, F.Lee, R.Nilakantan, R.Petersen, K.Svenson, R.Chopra, M.S.Tam, Y.Wen, J.Ellingboe, K.Arndt, F.Boschelli. Discovery of Benzisoxazoles As Potent Inhibitors of Chaperone Heat Shock Protein 90. J.Med.Chem. V. 51 373 2008.
ISSN: ISSN 0022-2623
PubMed: 18197612
DOI: 10.1021/JM701385C
Page generated: Mon Jul 7 05:03:16 2025

Last articles

Ca in 5KVA
Ca in 5KWS
Ca in 5KV9
Ca in 5KV8
Ca in 5KTV
Ca in 5KTY
Ca in 5KTI
Ca in 5KN0
Ca in 5KTH
Ca in 5KSA
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy