Structure of PDB 3mwb Chain B Binding Site BS02

Receptor Information
>3mwb Chain B (length=303) Species: 290340 (Paenarthrobacter aurescens TC1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTYTFLGPQGTFTEAALMQVPGAADATRIPCTNVNTALERVRAGEADAAM
VPIENSVEGGVTATLDAIATGQELRIIREALVPITFVLVARPGVELSDIK
RISTHGHAWAQCRLWVDEHLPNADYVPGSSTAASAMGLLEDDAPYEAAIC
APLIAAEQPGLNVLAEDIGDNPDAVTRFILVSRPGALPERTGADKTTVVV
PLPEDHPGALMEILDQFASRGVNLSRIESRPTLGHYFFSIDADGHATDSR
VADALAGLHRISPATRFLGSYARADKQPAVVAPHTSDAAFASAHAWVDSI
LKG
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain3mwb Chain B Residue 312 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mwb The Crystal Structure of Prephenate dehydratase in complex with L-Phe from Arthrobacter aurescens to 2.0A
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N226 L227 S228 R229 I230
Binding residue
(residue number reindexed from 1)		N223 L224 S225 R226 I227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T179 F181
Catalytic site (residue number reindexed from 1) T176 F178
Enzyme Commision number 4.2.1.51: prephenate dehydratase.
Gene Ontology
Molecular Function
GO:0004106 chorismate mutase activity
GO:0004664 prephenate dehydratase activity
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009094 L-phenylalanine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3mwb, PDBe:3mwb, PDBj:3mwb
PDBsum3mwb
PubMed
UniProtA1R118

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