2026-09-19_00000118
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ligand
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35WK
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with an inhibitor UNC7844;
X-ray diffraction 1.65Å
Protein #1
261 residues (92% resolved)
Raw Sequence ...
GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
Canonical Sequence ...
GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
Non polymer #2
A1DH6
InChI=1S/C20H13N5O/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)19-17-12-16(20-21-24-25-22-20)10-11-18(17)23-26-19/h1-12H,(H,21,22,24,25)
InChI=1S/C20H13N5O/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)19-17-12-16(20-21-24-25-22-20)10-11-18(17)23-26-19/h1-12H,(H,21,22,24,25)
SMILES: c1ccc(cc1)c2ccc(cc2)c3c4cc(ccc4no3)c5[nH]nnn5
c1ccc(cc1)c2ccc(cc2)c3c4cc(ccc4no3)c5[nH]nnn5
Biounit #1
monomer
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Model
Reference
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