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Atomistry » Iodine » PDB 7qbf-7se5 » 7rxt | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Iodine » PDB 7qbf-7se5 » 7rxt » |
Iodine in PDB 7rxt: Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-Dimethylphenoxy) Pyrimidin-4-Yl]-4-(4-Iodophenyl)-1H-Imidazol-1-Yl}Pyrrolidin-1- Yl]Ethan-1-AmineProtein crystallography data
The structure of Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-Dimethylphenoxy) Pyrimidin-4-Yl]-4-(4-Iodophenyl)-1H-Imidazol-1-Yl}Pyrrolidin-1- Yl]Ethan-1-Amine, PDB code: 7rxt
was solved by
H.Cui,
J.A.Johnson,
K.Shi,
H.Aihara,
W.C.K.Pomerantz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Iodine Binding Sites:
The binding sites of Iodine atom in the Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-Dimethylphenoxy) Pyrimidin-4-Yl]-4-(4-Iodophenyl)-1H-Imidazol-1-Yl}Pyrrolidin-1- Yl]Ethan-1-Amine
(pdb code 7rxt). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-Dimethylphenoxy) Pyrimidin-4-Yl]-4-(4-Iodophenyl)-1H-Imidazol-1-Yl}Pyrrolidin-1- Yl]Ethan-1-Amine, PDB code: 7rxt: Iodine binding site 1 out of 1 in 7rxtGo back to Iodine Binding Sites List in 7rxt
Iodine binding site 1 out
of 1 in the Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-Dimethylphenoxy) Pyrimidin-4-Yl]-4-(4-Iodophenyl)-1H-Imidazol-1-Yl}Pyrrolidin-1- Yl]Ethan-1-Amine
Mono view Stereo pair view
Reference:
H.Cui,
A.Divakaran,
Z.J.Hoell,
M.O.Ellingson,
C.R.Scholtz,
H.Zahid,
J.A.Johnson,
E.C.Griffith,
C.T.Gee,
A.L.Lee,
S.Khanal,
K.Shi,
H.Aihara,
V.H.Shah,
R.E.Lee,
D.A.Harki,
W.C.K.Pomerantz.
A Structure-Based Design Approach For Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem. V. 65 2342 2022.
Page generated: Wed Apr 5 09:22:01 2023
ISSN: ISSN 0022-2623 PubMed: 35007061 DOI: 10.1021/ACS.JMEDCHEM.1C01779 |
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