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Iodine in PDB 7z76: Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
Protein crystallography data
The structure of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb, PDB code: 7z76
was solved by
G.Bader,
J.Boettcher,
B.Wolkerstorfer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 33.96 / 1.32 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 47.469, 101.395, 69.131, 90, 105.56, 90 |
| R / Rfree (%) | 17.8 / 20.2 |
Other elements in 7z76:
The structure of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb also contains other interesting chemical elements:
| Bromine | (Br) | 1 atom |
Iodine Binding Sites:
The binding sites of Iodine atom in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
(pdb code 7z76). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb, PDB code: 7z76:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;
In total 7 binding sites of Iodine where determined in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb, PDB code: 7z76:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;
Iodine binding site 1 out of 7 in 7z76
Go back to
Iodine Binding Sites List in 7z76
Iodine binding site 1 out
of 7 in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 1 of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb within 5.0Å range:
|
Iodine binding site 2 out of 7 in 7z76
Go back to
Iodine Binding Sites List in 7z76
Iodine binding site 2 out
of 7 in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 2 of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb within 5.0Å range:
|
Iodine binding site 3 out of 7 in 7z76
Go back to
Iodine Binding Sites List in 7z76
Iodine binding site 3 out
of 7 in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 3 of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb within 5.0Å range:
|
Iodine binding site 4 out of 7 in 7z76
Go back to
Iodine Binding Sites List in 7z76
Iodine binding site 4 out
of 7 in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 4 of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb within 5.0Å range:
|
Iodine binding site 5 out of 7 in 7z76
Go back to
Iodine Binding Sites List in 7z76
Iodine binding site 5 out
of 7 in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 5 of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb within 5.0Å range:
|
Iodine binding site 6 out of 7 in 7z76
Go back to
Iodine Binding Sites List in 7z76
Iodine binding site 6 out
of 7 in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 6 of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb within 5.0Å range:
|
Iodine binding site 7 out of 7 in 7z76
Go back to
Iodine Binding Sites List in 7z76
Iodine binding site 7 out
of 7 in the Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 7 of Crystal Structure of Compound 10 in Complex with the Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb within 5.0Å range:
|
Reference:
C.Kofink,
N.Trainor,
B.Mair,
S.Wohrle,
M.Wurm,
N.Mischerikow,
M.J.Roy,
G.Bader,
P.Greb,
G.Garavel,
E.Diers,
R.Mclennan,
C.Whitworth,
V.Vetma,
K.Rumpel,
M.Scharnweber,
J.E.Fuchs,
T.Gerstberger,
Y.Cui,
G.Gremel,
P.Chetta,
S.Hopf,
N.Budano,
J.Rinnenthal,
G.Gmaschitz,
M.Mayer,
M.Koegl,
A.Ciulli,
H.Weinstabl,
W.Farnaby.
A Selective and Orally Bioavailable Vhl-Recruiting Protac Achieves SMARCA2 Degradation in Vivo. Nat Commun V. 13 5969 2022.
ISSN: ESSN 2041-1723
PubMed: 36216795
DOI: 10.1038/S41467-022-33430-6
Page generated: Mon Aug 12 02:23:35 2024
ISSN: ESSN 2041-1723
PubMed: 36216795
DOI: 10.1038/S41467-022-33430-6
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