2025-03-29_00000223
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ligand
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8UGV
Crystal structure of the second bromodomain of human BRD2 in complex with 6IND;
X-ray diffraction 1.99Å
Protein #1
115 residues (95% resolved)
Raw Sequence ...
GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD
Canonical Sequence ...
GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD
Non polymer #2
WNX
InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(15-5-4-14-8-9-24-18(14)10-15)17-11-16(30-2)6-7-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3/t19-/m0/s1
InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(15-5-4-14-8-9-24-18(14)10-15)17-11-16(30-2)6-7-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3/t19-/m0/s1
SMILES: Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4ccc5cc[nH]c5c4)OC
Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4ccc5cc[nH]c5c4)OC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%