2026-02-07_00000180
|
ligand
|
9QP9
APH(2'')-IVa with a fragment;
X-ray diffraction 2.30Å
Protein #1
321 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK
Non polymer #2
A1I84
InChI=1S/C11H14ClN3O2/c12-9-6-14-10(15-7-1-2-7)5-8(9)11(17)13-3-4-16/h5-7,16H,1-4H2,(H,13,17)(H,14,15)
InChI=1S/C11H14ClN3O2/c12-9-6-14-10(15-7-1-2-7)5-8(9)11(17)13-3-4-16/h5-7,16H,1-4H2,(H,13,17)(H,14,15)
SMILES: c1c(c(cnc1NC2CC2)Cl)C(=O)NCCO
c1c(c(cnc1NC2CC2)Cl)C(=O)NCCO
Non polymer #3
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
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%