2026-10-17_00000181
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ligand
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9T5Y
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor;
X-ray diffraction 1.48Å
Protein #1
162 residues (97% resolved)
Raw Sequence ...
SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ
Canonical Sequence ...
SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ
Non polymer #2
A1JTZ
InChI=1S/C24H22N2O4S/c1-18-17-26(23-13-6-5-12-22(18)23)15-14-24(27)25-31(28,29)21-11-7-10-20(16-21)30-19-8-3-2-4-9-19/h2-13,16-17H,14-15H2,1H3,(H,25,27)
InChI=1S/C24H22N2O4S/c1-18-17-26(23-13-6-5-12-22(18)23)15-14-24(27)25-31(28,29)21-11-7-10-20(16-21)30-19-8-3-2-4-9-19/h2-13,16-17H,14-15H2,1H3,(H,25,27)
SMILES: Cc1cn(c2c1cccc2)CCC(=O)NS(=O)(=O)c3cccc(c3)Oc4ccccc4
Cc1cn(c2c1cccc2)CCC(=O)NS(=O)(=O)c3cccc(c3)Oc4ccccc4
Biounit #1
homo-hexamer
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Model
Reference
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