2025-08-30_00000092
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ligand
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9GJR
Crystal Structure of the Leishmania Bromodomain LmxBDF5.1 in complex with OXFBD06;
X-ray diffraction 1.45Å
Protein #1
114 residues (100% resolved)
Raw Sequence ...
GPYNEADVAALVRSLDRAEDHHIFAVDVLETYPYLAESYTKVCPRRCDLATAAQKALEGAYSYDLRLEGLKADIALMASNCIAYNGPTSAYAETAAKFERHALEQIDAFVLEHN
Canonical Sequence ...
GPYNEADVAALVRSLDRAEDHHIFAVDVLETYPYLAESYTKVCPRRCDLATAAQKALEGAYSYDLRLEGLKADIALMASNCIAYNGPTSAYAETAAKFERHALEQIDAFVLEHN
Non polymer #2
A1IMI
InChI=1S/C30H34N6O2/c1-20-5-6-24(17-26(20)19-31)7-10-29-32-27-18-25(30-21(2)33-38-22(30)3)8-9-28(27)36(29)16-13-34-11-14-35(15-12-34)23(4)37/h5-6,8-9,17-18H,7,10-16H2,1-4H3/p+1
InChI=1S/C30H34N6O2/c1-20-5-6-24(17-26(20)19-31)7-10-29-32-27-18-25(30-21(2)33-38-22(30)3)8-9-28(27)36(29)16-13-34-11-14-35(15-12-34)23(4)37/h5-6,8-9,17-18H,7,10-16H2,1-4H3/p+1
SMILES: Cc1ccc(cc1C#N)CCc2nc3cc(ccc3n2CC[NH+]4CCN(CC4)C(=O)C)c5c(noc5C)C
Cc1ccc(cc1C#N)CCc2nc3cc(ccc3n2CC[NH+]4CCN(CC4)C(=O)C)c5c(noc5C)C
Non polymer #3
BU3
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
SMILES: C[C@H]([C@@H](C)O)O
C[C@H]([C@@H](C)O)O
Non polymer #4
K
InChI=1S/K/q+1
InChI=1S/K/q+1
SMILES: [K+]
[K+]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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