2025-08-30_00000237
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ligand
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9KNH
Structural complex of FTO bound with Dac590;
X-ray diffraction 2.90Å
Protein #1
478 residues (89% resolved)
Raw Sequence ...
GSHMTPKDDEFYQQWQLKYPKLILREASSVSEELHKEVQEAFLTLHKHGCLFRDLVRIQGKDLLTPVSRILIGNPGCTYKYLNTRLFTVPWPVKGSNIKHTEAEIAAACETFLKLNDYLQIETIQALEELAAKEKANEDAVPLCMSADFPRVGMGSSYNGQDEVDIKSRAAYNVTLLNFMDPQKMPYLKEEPYFGMGKMAVSWHHDENLVDRSAVAVYSYSCEGPEEESEDDSHLEGRDPDIWHVGFKISWDIETPGLAIPLHQGDCYFMLDDLNATHQHCVLAGSQPRFSSTHRVAECSTGTLDYILQRCQLALQNVCDDVDNDDVSLKSFEPAVLKQGEEIHNEVEFEWLRQFWFQGNRYRKCTDWWCQPMAQLEALWKKMEGVTNAVLHEVKREGLPVEQRNEILTAILASLTARQNLRREWHARCQSRIARTLPADQKPECRPYWEKDDASMPLPFDLTDIVSELRGQLLEAKP
Canonical Sequence ...
GSHMTPKDDEFYQQWQLKYPKLILREASSVSEELHKEVQEAFLTLHKHGCLFRDLVRIQGKDLLTPVSRILIGNPGCTYKYLNTRLFTVPWPVKGSNIKHTEAEIAAACETFLKLNDYLQIETIQALEELAAKEKANEDAVPLCMSADFPRVGMGSSYNGQDEVDIKSRAAYNVTLLNFMDPQKMPYLKEEPYFGMGKMAVSWHHDENLVDRSAVAVYSYSCEGPEEESEDDSHLEGRDPDIWHVGFKISWDIETPGLAIPLHQGDCYFMLDDLNATHQHCVLAGSQPRFSSTHRVAECSTGTLDYILQRCQLALQNVCDDVDNDDVSLKSFEPAVLKQGEEIHNEVEFEWLRQFWFQGNRYRKCTDWWCQPMAQLEALWKKMEGVTNAVLHEVKREGLPVEQRNEILTAILASLTARQNLRREWHARCQSRIARTLPADQKPECRPYWEKDDASMPLPFDLTDIVSELRGQLLEAKP
Non polymer #2
A1EF4
InChI=1S/C19H16ClFN2O4/c1-9-17(10(2)27-23-9)11-6-14(20)18(15(21)7-11)22-16-5-4-12(26-3)8-13(16)19(24)25/h4-8,22H,1-3H3,(H,24,25)
InChI=1S/C19H16ClFN2O4/c1-9-17(10(2)27-23-9)11-6-14(20)18(15(21)7-11)22-16-5-4-12(26-3)8-13(16)19(24)25/h4-8,22H,1-3H3,(H,24,25)
SMILES: Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccc(cc3C(=O)O)OC)F
Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccc(cc3C(=O)O)OC)F
Non polymer #3
FE
InChI=1S/Fe/q+3
InChI=1S/Fe/q+3
SMILES: [Fe+3]
[Fe+3]
Non polymer #4
OGA
InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
SMILES: C(C(=O)O)NC(=O)C(=O)O
C(C(=O)O)NC(=O)C(=O)O
Biounit #1
monomer
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Model
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