2025-01-11_00000265
|
ligand
|
9D11
Smarca2 Bromodomain in complex with compound 22;
X-ray diffraction 1.68Å
Protein #1
124 residues (92% resolved)
Raw Sequence ...
SNAAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEE
Canonical Sequence ...
SNAAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEE
Non polymer #2
A1A1O
InChI=1S/C25H26ClN3O/c26-19-5-4-6-20-22(19)23(30)28-24-25(11-2-1-3-12-25)18-8-7-17(15-21(18)29(20)24)16-9-13-27-14-10-16/h4-8,15-16,27H,1-3,9-14H2
InChI=1S/C25H26ClN3O/c26-19-5-4-6-20-22(19)23(30)28-24-25(11-2-1-3-12-25)18-8-7-17(15-21(18)29(20)24)16-9-13-27-14-10-16/h4-8,15-16,27H,1-3,9-14H2
SMILES: c1cc2c(c(c1)Cl)C(=O)N=C3N2c4cc(ccc4C35CCCCC5)C6CCNCC6
c1cc2c(c(c1)Cl)C(=O)N=C3N2c4cc(ccc4C35CCCCC5)C6CCNCC6
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #5
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Biounit #3
monomer
Download coordinates
Tube
Model
Reference
100%