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Structure of PDB 2fn0 Chain B Binding Site BS03

Receptor Information
>2fn0 Chain B (length=412) Species: 630 (Yersinia enterocolitica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKISEFLHLALPEEQWLPTISGVLRQFAEEECYVYERPPCWYLGKGCQAR
LHINADGTQATFIDDAGEQKWAVDSIADCARRFMAHPQVKGRRVYGQVGF
NFAAHARGIAFNAGEWPLLTLTVPREELIFEKGNVTVYADPLAVDTALNG
EAYKQQVARAVAEIRRGEYVKVIVSRAIPLPSRIDMPATLLYGRQANTPV
RSFMFRQEGREALGFSPELVMSVTGNKVVTEPLAGTRDRMGNPEHNKAKE
AELLHDSKEVLEHILSVKEAIAELEAVCLPGSVVVEDLMSVRQRGSVQHL
GSGVSGQLAENKDAWDAFTVLFPSITASGIPKNAALNAIMQIEKTPRELY
SGAILLLDDTRFDAALVLRSVFQDSQRCWIQAGAGIIAQSTPERELTETR
EKLASIAPYLMV
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain2fn0 Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2fn0 Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y372 L390 R391 A404 G405 K424
Binding residue
(residue number reindexed from 1)		Y350 L368 R369 A382 G383 K402
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K193 E240 A256 E284 H321 T348 Y372 R391 G407 E420 K424
Catalytic site (residue number reindexed from 1) K171 E218 A234 E262 H299 T326 Y350 R369 G385 E398 K402
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008909 isochorismate synthase activity
GO:0016833 oxo-acid-lyase activity
GO:0016835 carbon-oxygen lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0009058 biosynthetic process
GO:0019290 siderophore biosynthetic process

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Molecular Function
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Biological Process
External links

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