2026-08-22_00000036
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ligand
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12EZ
A.fulgidus RioK1 bound to small molecule KPSH02;
X-ray diffraction 1.76Å
Protein #1
253 residues (91% resolved)
Raw Sequence ...
KIESYLDKLRIKEKDGEERKIYAEVLDGRTLKTLYKLSAKGYITAMGGVISTGKEANVFYADGVFDGKPVAMAVKIYRIETSEFDKMDEYLYGDERFDMRRISPKEKVFIWTEKEFRNLERAKEAGVSVPQPYTYMKNVLLMEFIGEDELPAPTLVELGRELKELDVEGIFNDVVENVKRLYQEAELVHADLSEYNIMYIDKVYFIDMGQAVTLRHPMAESYLERDVRNIIRFFSKYGVKADFEEMLKEVKGE
Canonical Sequence ...
KIESYLDKLRIKEKDGEERKIYAEVLDGRTLKTLYKLSAKGYITAMGGVISTGKEANVFYADGVFDGKPVAMAVKIYRIETSEFDKMDEYLYGDERFDMRRISPKEKVFIWTEKEFRNLERAKEAGVSVPQPYTYMKNVLLMEFIGEDELPAPTLVELGRELKELDVEGIFNDVVENVKRLYQEAELVHADLSEYNIMYIDKVYFIDMGQAVTLRHPMAESYLERDVRNIIRFFSKYGVKADFEEMLKEVKGE
Non polymer #2
A1DB4
InChI=1S/C14H14N8O3S/c15-1-6-2-22(12-8(6)11(16)17-4-18-12)13-10(24)9(23)7(25-13)3-26-14-19-5-20-21-14/h2,4-5,7,9-10,13,23-24H,3H2,(H2,16,17,18)(H,19,20,21)/t7-,9-,10+,13+/m0/s1
InChI=1S/C14H14N8O3S/c15-1-6-2-22(12-8(6)11(16)17-4-18-12)13-10(24)9(23)7(25-13)3-26-14-19-5-20-21-14/h2,4-5,7,9-10,13,23-24H,3H2,(H2,16,17,18)(H,19,20,21)/t7-,9-,10+,13+/m0/s1
SMILES: c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@H]([C@@H](O3)CSc4nc[nH]n4)O)O)N)C#N
c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@H]([C@@H](O3)CSc4nc[nH]n4)O)O)N)C#N
Biounit #1
homo-dimer
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Model
Reference
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