2024-11-02_00000353
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ligand
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9G91
Crystal structure of HRP-2 PWWP domain in complex with compound 43;
X-ray diffraction 1.78Å
Protein #1
94 residues (99% resolved)
Raw Sequence ...
GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS
Canonical Sequence ...
GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS
Non polymer #2
A1II3
InChI=1S/C13H13BrN2O/c14-12-4-11(6-15-8-12)7-16-13-3-1-2-10(5-13)9-17/h1-6,8,16-17H,7,9H2
InChI=1S/C13H13BrN2O/c14-12-4-11(6-15-8-12)7-16-13-3-1-2-10(5-13)9-17/h1-6,8,16-17H,7,9H2
SMILES: c1cc(cc(c1)NCc2cc(cnc2)Br)CO
c1cc(cc(c1)NCc2cc(cnc2)Br)CO
Non polymer #3
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
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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