2026-10-17_00000184
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ligand
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9TH5
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyl transferase in complex with inhibitor;
X-ray diffraction 2.48Å
Protein #1
162 residues (97% resolved)
Raw Sequence ...
SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ
Canonical Sequence ...
SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ
Non polymer #2
A1JV8
InChI=1S/C18H14FN3O2/c19-14-5-6-15(21)12(9-20)18(14)13-10-22(8-7-17(23)24)16-4-2-1-3-11(13)16/h1-6,10H,7-8,21H2,(H,23,24)
InChI=1S/C18H14FN3O2/c19-14-5-6-15(21)12(9-20)18(14)13-10-22(8-7-17(23)24)16-4-2-1-3-11(13)16/h1-6,10H,7-8,21H2,(H,23,24)
SMILES: c1ccc2c(c1)c(cn2CCC(=O)O)c3c(ccc(c3C#N)N)F
c1ccc2c(c1)c(cn2CCC(=O)O)c3c(ccc(c3C#N)N)F
Biounit #1
homo-hexamer
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Model
Reference
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