2025-07-19_00000058
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ligand
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9FTK
Crystal structure of trans-o-hydroxybenzylidenepyruvate hydratase-aldolase from Pseudomonas fluorescens N3 bound to substrate intermediate;
X-ray diffraction 1.76Å
Protein #1
346 residues (95% resolved)
Raw Sequence ...
MRGSHHHHHHGSMSNKIMKTSRLTAEDINGAWTIMPTPSTPDASDWRSTATVDLEETARIVEELIAAGVNGILSMGTFGECATLTWDEKRDYVSTIVETIRGRVPYFCGTTALNTREVIRQTRELIDIGANGTMLGVPMWVKMDLPTAVQFYRDVADAVPEAAIAIYANPEAFKFDFPRPFWAEMSKIPQVVTAKYLGIGMLDLDLRLAPNIRFLPHEDDYYAAARINPERITAFWSSGAMCGPATAIMLRDEVVRAKSTGDWAKAKAISDDMRAADSTLFPRGDFSEFSKYNIGLEKARMDAAGWLKAGPCRPPYNLVPEDYLAGAQKSGKAWAALHAKYSNELK
Canonical Sequence ...
MRGSHHHHHHGSMSNKIMKTSRLTAEDINGAWTIMPTPSTPDASDWRSTATVDLEETARIVEELIAAGVNGILSMGTFGECATLTWDEKRDYVSTIVETIRGRVPYFCGTTALNTREVIRQTRELIDIGANGTMLGVPMWVKMDLPTAVQFYRDVADAVPEAAIAIYANPEAFKFDFPRPFWAEMSKIPQVVTAKYLGIGMLDLDLRLAPNIRFLPHEDDYYAAARINPERITAFWSSGAMCGPATAIMLRDEVVRAKSTGDWAKAKAISDDMRAADSTLFPRGDFSEFSKYNIGLEKARMDAAGWLKAGPCRPPYNLVPEDYLAGAQKSGKAWAALHAKYSNELK
Non polymer #2
KRN
InChI=1S/C10H12O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9,11-12H,5-6H2,(H,13,14)/t9-/m1/s1
InChI=1S/C10H12O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9,11-12H,5-6H2,(H,13,14)/t9-/m1/s1
SMILES: c1ccc(c(c1)[C@@H](CCC(=O)O)O)O
c1ccc(c(c1)[C@@H](CCC(=O)O)O)O
Non polymer #3
NK
InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
SMILES: c1ccc(c(c1)C=O)O
c1ccc(c(c1)C=O)O
Non polymer #4
PO4
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
SMILES: [O-]P(=O)([O-])[O-]
[O-]P(=O)([O-])[O-]
Biounit #1
homo-tetramer
Download coordinates
Biounit #2
homo-tetramer
Download coordinates
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Model
Reference
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