2024-02-17_00000070
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ligand
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8CEX
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227;
X-ray diffraction 2.30Å
Protein #1
318 residues (98% resolved)
Raw Sequence ...
GSHMRHRTLSSSPALWASIPCPRSELRLDLVLASGQSFRWKEQSPAHWSGVLADQVWTLTQTEDQLYCTVYRGDDSQVSRPTLEELETLHKYFQLDVSLAQLYSHWASVDSHFQRVAQKFQGVRLLRQDPTECLFSFICSSNNNIARITGMVERLCQAFGPRLIQLDDVTYHGFPNLHALAGPEAETHLRKLGLGYRARYVRASAKAILEEQGGPAWLQQLRVAPYEEAHKALCTLPGVGAKVADCICLMALDKPQAVPVDVHVWQIAHRDYGWHPKTSQAKGPSPLANKELGNFFRNLWGPYAGWAQAVLFSADLRQ
Canonical Sequence ...
GSHMRHRTLSSSPALWASIPCPRSELRLDLVLASGQSFRWKEQSPAHWSGVLADQVWTLTQTEDQLYCTVYRGDDSQVSRPTLEELETLHKYFQLDVSLAQLYSHWASVDSHFQRVAQKFQGVRLLRQDPTECLFSFICSSNNNIARITGMVERLCQAFGPRLIQLDDVTYHGFPNLHALAGPEAETHLRKLGLGYRARYVRASAKAILEEQGGPAWLQQLRVAPYEEAHKALCTLPGVGAKVADCICLMALDKPQAVPVDVHVWQIAHRDYGWHPKTSQAKGPSPLANKELGNFFRNLWGPYAGWAQAVLFSADLRQ
Non polymer #2
NI
InChI=1S/Ni/q+2
InChI=1S/Ni/q+2
SMILES: [Ni+2]
[Ni+2]
Non polymer #3
UG0
InChI=1S/C14H13FN2O/c1-10-2-4-11(5-3-10)8-17-14(18)12-6-7-13(15)16-9-12/h2-7,9H,8H2,1H3,(H,17,18)
InChI=1S/C14H13FN2O/c1-10-2-4-11(5-3-10)8-17-14(18)12-6-7-13(15)16-9-12/h2-7,9H,8H2,1H3,(H,17,18)
SMILES: Cc1ccc(cc1)CNC(=O)c2ccc(nc2)F
Cc1ccc(cc1)CNC(=O)c2ccc(nc2)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Biounit #3
monomer
Download coordinates
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Model
Reference
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