2025-08-16_00000052
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ligand
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7HJR
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000042783023;
X-ray diffraction 1.55Å
Protein #1
126 residues (100% resolved)
Raw Sequence ...
SVKSEYAEAAAVGQEAVAVFNTMKAAFQNGDKEAVAQYLARLASLYTRHEELLNRILEKARREGNKEAVTLMNEFTATFQTGKSIFNAMVAAFKNGDDDSFESYLQALEKVTAKGETLADQIAKAL
Canonical Sequence ...
SVKSEYAEAAAVGQEAVAVFNTMKAAFQNGDKEAVAQYLARLASLYTRHEELLNRILEKARREGNKEAVTLMNEFTATFQTGKSIFNAMVAAFKNGDDDSFESYLQALEKVTAKGETLADQIAKAL
Non polymer #2
80Q
InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2
InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2
SMILES: c1cc(ncc1C(F)(F)F)OC2CCNCC2
c1cc(ncc1C(F)(F)F)OC2CCNCC2
Biounit #1
monomer
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Model
Reference
100%