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Structure of PDB 2fn1 Chain A Binding Site BS01

Receptor Information
>2fn1 Chain A (length=408) Species: 630 (Yersinia enterocolitica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KISEFLHEEQWLPTISGVLRQFAEEECYVYERPPCWYLGKGCQARLHINA
DGTQATFIDDAGEQKWAVDSIADCARRFMAHPQVKGRRVYGQVGFNFAAH
ARGIAFNAGEWPLLTLTVPREELIFEKGNVTVYADAPLAVDTALNGEAYK
QQVARAVAEIRRGEYVKVIVSRAIPLPSRIDMPATLLYGRQANTPVRSFM
FRQEGREALGFSPELVMSVTGNKVVTEPLAGTRDRMGNPEHNKAKEAELL
HDSKEVLEHILSVKEAIAELEAVCLPGSVVVEDLMSVRQRGSVQHLGSGV
SGQLAENKDAWDAFTVLFPSITASGIPKNAALNAIMQIEKTPRELYSGAI
LLLDDTRFDAALVLRSVFQDSQRCWIQAGAGIIAQSTPERELTETREKLA
SIAPYLMV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2fn1 Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fn1 Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E284 E420
Binding residue
(residue number reindexed from 1)		E258 E394
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) K167 E214 A230 E258 H295 T322 Y346 R365 G381 E394 K398
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
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