2025-05-17_00000079
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ligand
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9AYE
FIS1 T34D Covalent inhibitor complex;
X-ray diffraction 1.90Å
Protein #1
129 residues (75% resolved)
Raw Sequence ...
MEAVLNELVSVEDLLKFEKKFQSEKAAGSVSKSDQFEYAWCLVRSKYNDDIRKGIVLLEELLPKGSKEEQRDYVFYLAVGNYRLKEYEKALKYVRGLLQTEPQNNQAKELERLIDKAMKKDGLLEVLFQ
Canonical Sequence ...
MEAVLNELVSVEDLLKFEKKFQSEKAAGSVSKSDQFEYAWCLVRSKYNDDIRKGIVLLEELLPKGSKEEQRDYVFYLAVGNYRLKEYEKALKYVRGLLQTEPQNNQAKELERLIDKAMKKDGLLEVLFQ
Non polymer #2
A1AHL
InChI=1S/C18H19ClN2OS/c1-20(18(22)13-19)11-6-12-21-14-7-2-4-9-16(14)23-17-10-5-3-8-15(17)21/h2-5,7-10H,6,11-13H2,1H3
InChI=1S/C18H19ClN2OS/c1-20(18(22)13-19)11-6-12-21-14-7-2-4-9-16(14)23-17-10-5-3-8-15(17)21/h2-5,7-10H,6,11-13H2,1H3
SMILES: CN(CCCN1c2ccccc2Sc3c1cccc3)C(=O)CCl
CN(CCCN1c2ccccc2Sc3c1cccc3)C(=O)CCl
Biounit #1
monomer
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Model
Reference
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