2025-09-06_00000076
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ligand
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9HT3
Crystal structure of PA0884, the SBP component of a Pseudomonas aeruginosa PAO1 Tripartite ATP-independent Periplasmic (TRAP) transporter, complexed with itaconate;
X-ray diffraction 1.80Å
Protein #1
308 residues (99% resolved)
Raw Sequence ...
AQPIVIKFSHVVAENTPKGQGALLFKKLVEQRLGGRVEVDVYPNSSLFGDGKEMEALLLGDVQMLAPSLAKFEQYTRKVQIFDLPFLFDDIQAVDRFQRSPQGRALLTSMQGKGILGLAYWHNGMKQLSANRPLLEPEDARGLKFRVQASDVLNEQFRQLRAISRKMSFAEVYQGLQTGVVNGTENTWSNYESQKVNEVQKYFTESNHGLVDYMVITNAKFWNGLPADIREELQRIMDEVTVQVNLEAERLNRDARQRILASGASEIHTLSPQQRADWRQAMQPVWQKFRGNVGADLLQAAEASNRPD
Canonical Sequence ...
AQPIVIKFSHVVAENTPKGQGALLFKKLVEQRLGGRVEVDVYPNSSLFGDGKEMEALLLGDVQMLAPSLAKFEQYTRKVQIFDLPFLFDDIQAVDRFQRSPQGRALLTSMQGKGILGLAYWHNGMKQLSANRPLLEPEDARGLKFRVQASDVLNEQFRQLRAISRKMSFAEVYQGLQTGVVNGTENTWSNYESQKVNEVQKYFTESNHGLVDYMVITNAKFWNGLPADIREELQRIMDEVTVQVNLEAERLNRDARQRILASGASEIHTLSPQQRADWRQAMQPVWQKFRGNVGADLLQAAEASNRPD
Non polymer #2
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #3
ITN
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
SMILES: C=C(CC(=O)O)C(=O)O
C=C(CC(=O)O)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%