2025-11-01_00000201
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ligand
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9H6P
Crystal structure of NUDT14 complexed with novel compound AMNUDT14-003 in spacegroup P1;
X-ray diffraction 3.16Å
Protein #1
222 residues (96% resolved)
Raw Sequence ...
MERIEGASVGRCAASPYLRPLTLHYRQNGAQKSWDFMKTHDSVTVLLFNSSRRSLVLVKQFRPAVYAGEVERRFPGSLAAVDQDGPRELQPALPGSAGVTVELCAGLVDQPGLSLEEVACKEAWEECGYHLAPSDLRRVATYWSGVGLTGSRQTMFYTEVTDAQRSGPGGGLVEEGELIEVVHLPLEGAQAFADDPDIPKTLGVIFGVSWFLSQVAPNLDLQ
Canonical Sequence ...
MERIEGASVGRCAASPYLRPLTLHYRQNGAQKSWDFMKTHDSVTVLLFNSSRRSLVLVKQFRPAVYAGEVERRFPGSLAAVDQDGPRELQPALPGSAGVTVELCAGLVDQPGLSLEEVACKEAWEECGYHLAPSDLRRVATYWSGVGLTGSRQTMFYTEVTDAQRSGPGGGLVEEGELIEVVHLPLEGAQAFADDPDIPKTLGVIFGVSWFLSQVAPNLDLQ
Non polymer #2
A1ISQ
InChI=1S/C19H21N7/c1-25-8-5-14(6-9-25)26-19-16(18(20)22-11-23-19)17(24-26)13-3-2-12-4-7-21-15(12)10-13/h2-4,7,10-11,14,21H,5-6,8-9H2,1H3,(H2,20,22,23)
InChI=1S/C19H21N7/c1-25-8-5-14(6-9-25)26-19-16(18(20)22-11-23-19)17(24-26)13-3-2-12-4-7-21-15(12)10-13/h2-4,7,10-11,14,21H,5-6,8-9H2,1H3,(H2,20,22,23)
SMILES: CN1CCC(CC1)n2c3c(c(n2)c4ccc5cc[nH]c5c4)c(ncn3)N
CN1CCC(CC1)n2c3c(c(n2)c4ccc5cc[nH]c5c4)c(ncn3)N
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Biounit #3
homo-dimer
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Biounit #4
homo-dimer
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Model
Reference
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