Atomistry » Bromine » PDB 2qc6-2vo5 » 2qf6
Atomistry »
  Bromine »
    PDB 2qc6-2vo5 »
      2qf6 »

Bromine in PDB 2qf6: HSP90 Complexed with A56322

Protein crystallography data

The structure of HSP90 Complexed with A56322, PDB code: 2qf6 was solved by C.H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.93 / 3.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 118.824, 118.824, 180.779, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Bromine Binding Sites:

The binding sites of Bromine atom in the HSP90 Complexed with A56322 (pdb code 2qf6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the HSP90 Complexed with A56322, PDB code: 2qf6:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 2qf6

Go back to Bromine Binding Sites List in 2qf6
Bromine binding site 1 out of 4 in the HSP90 Complexed with A56322


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of HSP90 Complexed with A56322 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br256

b:56.6
occ:1.00
BR1 A:A56256 0.0 56.6 1.0
C8 A:A56256 1.9 40.5 1.0
C7 A:A56256 2.8 37.9 1.0
C9 A:A56256 2.9 38.5 1.0
C12 A:A56256 3.3 37.4 1.0
N13 A:A56256 3.3 37.4 1.0
CD1 A:PHE138 3.7 19.1 1.0
CE1 A:PHE138 3.8 16.4 1.0
CG1 A:VAL150 4.0 14.1 1.0
CG2 A:VAL186 4.1 20.9 1.0
CE A:MET98 4.1 22.8 1.0
C3 A:A56256 4.1 35.0 1.0
C10 A:A56256 4.2 34.7 1.0
CG2 A:VAL150 4.2 18.8 1.0
C14 A:A56256 4.4 38.6 1.0
N17 A:A56256 4.4 38.8 1.0
CG2 A:THR184 4.5 28.0 1.0
CG A:PHE138 4.5 17.8 1.0
CZ A:PHE138 4.6 15.3 1.0
C4 A:A56256 4.7 32.7 1.0
CB A:VAL150 4.8 17.8 1.0
CD2 A:LEU107 4.8 15.3 1.0
N19 A:A56256 4.9 40.9 1.0

Bromine binding site 2 out of 4 in 2qf6

Go back to Bromine Binding Sites List in 2qf6
Bromine binding site 2 out of 4 in the HSP90 Complexed with A56322


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of HSP90 Complexed with A56322 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br256

b:56.4
occ:1.00
BR1 B:A56256 0.0 56.4 1.0
C8 B:A56256 1.9 43.5 1.0
C7 B:A56256 2.8 40.9 1.0
C9 B:A56256 2.9 40.7 1.0
C12 B:A56256 3.3 39.0 1.0
N13 B:A56256 3.3 37.1 1.0
CD1 B:PHE138 3.8 21.5 1.0
CE1 B:PHE138 3.8 20.9 1.0
CG1 B:VAL150 4.0 11.9 1.0
CE B:MET98 4.1 25.8 1.0
CG2 B:VAL186 4.2 24.0 1.0
C3 B:A56256 4.2 36.5 1.0
O B:HOH263 4.2 19.3 1.0
C10 B:A56256 4.2 37.9 1.0
CG2 B:VAL150 4.2 16.7 1.0
C14 B:A56256 4.3 36.7 1.0
N17 B:A56256 4.4 39.4 1.0
CG2 B:THR184 4.4 27.6 1.0
CG B:PHE138 4.6 20.5 1.0
CZ B:PHE138 4.7 18.7 1.0
C4 B:A56256 4.7 35.8 1.0
CB B:VAL150 4.7 16.9 1.0
CD2 B:LEU107 4.8 16.3 1.0
N19 B:A56256 4.9 34.9 1.0
SD B:MET98 5.0 25.5 1.0

Bromine binding site 3 out of 4 in 2qf6

Go back to Bromine Binding Sites List in 2qf6
Bromine binding site 3 out of 4 in the HSP90 Complexed with A56322


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of HSP90 Complexed with A56322 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br256

b:57.9
occ:1.00
BR1 C:A56256 0.0 57.9 1.0
C8 C:A56256 1.9 42.2 1.0
C7 C:A56256 2.8 38.2 1.0
C9 C:A56256 2.9 39.5 1.0
C12 C:A56256 3.3 38.6 1.0
N13 C:A56256 3.3 40.2 1.0
CD1 C:PHE138 3.7 16.5 1.0
CE1 C:PHE138 3.8 13.3 1.0
CG1 C:VAL150 3.9 18.5 1.0
CE C:MET98 4.1 28.6 1.0
CG2 C:VAL186 4.1 27.9 1.0
C3 C:A56256 4.1 33.5 1.0
CG2 C:VAL150 4.2 17.8 1.0
C10 C:A56256 4.2 35.6 1.0
C14 C:A56256 4.4 41.4 1.0
N17 C:A56256 4.4 39.3 1.0
CG2 C:THR184 4.4 31.3 1.0
CG C:PHE138 4.6 17.2 1.0
CZ C:PHE138 4.6 14.4 1.0
CB C:VAL150 4.7 20.5 1.0
C4 C:A56256 4.7 33.7 1.0
CD2 C:LEU107 4.8 12.5 1.0
N19 C:A56256 4.9 41.7 1.0

Bromine binding site 4 out of 4 in 2qf6

Go back to Bromine Binding Sites List in 2qf6
Bromine binding site 4 out of 4 in the HSP90 Complexed with A56322


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of HSP90 Complexed with A56322 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br256

b:53.2
occ:1.00
BR1 D:A56256 0.0 53.2 1.0
C8 D:A56256 1.9 40.1 1.0
C7 D:A56256 2.8 37.9 1.0
C9 D:A56256 2.9 37.7 1.0
N13 D:A56256 3.2 37.4 1.0
C12 D:A56256 3.2 37.3 1.0
CD1 D:PHE138 3.8 11.3 1.0
CE1 D:PHE138 3.9 9.0 1.0
CG1 D:VAL150 4.0 14.4 1.0
CE D:MET98 4.0 29.9 1.0
C3 D:A56256 4.2 31.9 1.0
C10 D:A56256 4.2 35.4 1.0
CG2 D:VAL150 4.2 19.6 1.0
CG2 D:VAL186 4.2 23.5 1.0
C14 D:A56256 4.3 38.6 1.0
N17 D:A56256 4.3 37.2 1.0
CG2 D:THR184 4.4 33.7 1.0
CG D:PHE138 4.6 10.6 1.0
C4 D:A56256 4.7 31.1 1.0
CZ D:PHE138 4.7 10.9 1.0
CD2 D:LEU107 4.8 12.4 1.0
CB D:VAL150 4.8 18.9 1.0
N19 D:A56256 4.8 37.7 1.0
SD D:MET98 4.9 33.1 1.0

Reference:

J.R.Huth, C.Park, A.M.Petros, A.R.Kunzer, M.D.Wendt, X.Wang, C.L.Lynch, J.C.Mack, K.M.Swift, R.A.Judge, J.Chen, P.L.Richardson, S.Jin, S.K.Tahir, E.D.Matayoshi, S.A.Dorwin, U.S.Ladror, J.M.Severin, K.A.Walter, D.M.Bartley, S.W.Fesik, S.W.Elmore, P.J.Hajduk. Discovery and Design of Novel HSP90 Inhibitors Using Multiple Fragment-Based Design Strategies. Chem.Biol.Drug Des. V. 70 1 2007.
ISSN: ISSN 1747-0277
PubMed: 17630989
DOI: 10.1111/J.1747-0285.2007.00535.X
Page generated: Sat Dec 12 02:07:55 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy