2026-10-17_00000183
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ligand
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9T6F
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor;
X-ray diffraction 1.42Å
Protein #1
162 residues (97% resolved)
Raw Sequence ...
SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ
Canonical Sequence ...
SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ
Non polymer #2
A1JT5
InChI=1S/C18H14FN3O2/c19-11-7-13(14(9-20)16(21)8-11)15-10-22(6-5-18(23)24)17-4-2-1-3-12(15)17/h1-4,7-8,10H,5-6,21H2,(H,23,24)
InChI=1S/C18H14FN3O2/c19-11-7-13(14(9-20)16(21)8-11)15-10-22(6-5-18(23)24)17-4-2-1-3-12(15)17/h1-4,7-8,10H,5-6,21H2,(H,23,24)
SMILES: c1ccc2c(c1)c(cn2CCC(=O)O)c3cc(cc(c3C#N)N)F
c1ccc2c(c1)c(cn2CCC(=O)O)c3cc(cc(c3C#N)N)F
Biounit #1
homo-hexamer
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Model
Reference
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