2026-06-06_00000225
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ligand
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9VA5
isochorismate synthase MenF with product salicylic acid and pyruvate;
X-ray diffraction 1.95Å
Protein #1
366 residues (100% resolved)
Raw Sequence ...
PGSMSAPSFVFAGPSGVLIGEGVQTGFATIAGARAALTSGAADLVVGALPFDLTGPAALHAPASARVAGALPDWPTGTPPVLRTRETLPSGDVHRERVAEAVRRLRDADTPLDKVVLARALRLTAEAPWDPRTVLRRLADADPAATVYLADLSPAGDPHTGTVLVGASPELLVARDGDEVICRPFAGSAPRSADLETDRANAAALAASGKNRHEHELVVDVMRKALDPLCVDLQIAAQPELHATDALWHLSTPIRGRLRDKAITAIDLAVALHPTPAVGGVPTDLAASLITELEGDRGFYAGAVGWCDSAGNGRWVVSIRCAVLSADRRVALANAGGGIVAESDPDDEVDETTTKFRTILTGLGVQ
Canonical Sequence ...
PGSMSAPSFVFAGPSGVLIGEGVQTGFATIAGARAALTSGAADLVVGALPFDLTGPAALHAPASARVAGALPDWPTGTPPVLRTRETLPSGDVHRERVAEAVRRLRDADTPLDKVVLARALRLTAEAPWDPRTVLRRLADADPAATVYLADLSPAGDPHTGTVLVGASPELLVARDGDEVICRPFAGSAPRSADLETDRANAAALAASGKNRHEHELVVDVMRKALDPLCVDLQIAAQPELHATDALWHLSTPIRGRLRDKAITAIDLAVALHPTPAVGGVPTDLAASLITELEGDRGFYAGAVGWCDSAGNGRWVVSIRCAVLSADRRVALANAGGGIVAESDPDDEVDETTTKFRTILTGLGVQ
Non polymer #2
PYR
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
SMILES: CC(=O)C(=O)O
CC(=O)C(=O)O
Non polymer #3
SAL
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
SMILES: c1ccc(c(c1)C(=O)O)O
c1ccc(c(c1)C(=O)O)O
Biounit #1
monomer
Download coordinates
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Model
Reference
100%