2025-11-22_00000060
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ligand
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9HF4
Crystal structure of human TRF1 TRFH domain in complex with compound 32;
X-ray diffraction 2.17Å
Protein #1
224 residues (91% resolved)
Raw Sequence ...
SNAQVQVGAPEEEEEEEEDAGLVAEAEAVAAGWMLDFLCLSLCRAFRDGRSEDFRRTRNSAEAIIHGLSSLTACQLRTIYICQFLTRIAAGKTLDAQFENDERITPLESALMIWGSIEKEHDKLHEEIQNLIKIQAIAVCMENGNFKEAEEVFERIFGDPNSHMPFKSKLLMIISQKDTFHSFFQHFSYNHMMEKIKSYVNYVLSEKSSTFLMKAAAKVVESKR
Canonical Sequence ...
SNAQVQVGAPEEEEEEEEDAGLVAEAEAVAAGWMLDFLCLSLCRAFRDGRSEDFRRTRNSAEAIIHGLSSLTACQLRTIYICQFLTRIAAGKTLDAQFENDERITPLESALMIWGSIEKEHDKLHEEIQNLIKIQAIAVCMENGNFKEAEEVFERIFGDPNSHMPFKSKLLMIISQKDTFHSFFQHFSYNHMMEKIKSYVNYVLSEKSSTFLMKAAAKVVESKR
Non polymer #2
A1IUC
InChI=1S/C17H14O4S/c18-22(19,20)17-11-10-16(14-8-4-5-9-15(14)17)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,18,19,20)
InChI=1S/C17H14O4S/c18-22(19,20)17-11-10-16(14-8-4-5-9-15(14)17)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,18,19,20)
SMILES: c1ccc(cc1)COc2ccc(c3c2cccc3)S(=O)(=O)O
c1ccc(cc1)COc2ccc(c3c2cccc3)S(=O)(=O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #5
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
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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