2024-07-20_00000107
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ligand
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8QIY
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor;
X-ray diffraction 1.51Å
Protein #1
162 residues (97% resolved)
Raw Sequence ...
SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ
Canonical Sequence ...
SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ
Non polymer #2
VCC
InChI=1S/C11H8F3N3O2/c12-11(13,14)9-6(10(18)19)5-16-17(9)8-4-2-1-3-7(8)15/h1-5H,15H2,(H,18,19)
InChI=1S/C11H8F3N3O2/c12-11(13,14)9-6(10(18)19)5-16-17(9)8-4-2-1-3-7(8)15/h1-5H,15H2,(H,18,19)
SMILES: c1ccc(c(c1)N)n2c(c(cn2)C(=O)O)C(F)(F)F
c1ccc(c(c1)N)n2c(c(cn2)C(=O)O)C(F)(F)F
Biounit #1
homo-hexamer
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Model
Reference
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