Structure of PDB 2qmx Chain B Binding Site BS01

Receptor Information
>2qmx Chain B (length=278) Species: 194439 (Chlorobaculum tepidum TLS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWLIAYQGEPGAYSEIAALRFGEPLPCESFDDVFSAVTEQKADYAVIPIE
NSLGGSIHQNYDLLLRRPVVILAETFVKVEHCLLGLPGASVETATKAMSH
PQALVQCHNFFATHPQIRAEAAYDTAGSAKMVAESRDKSALAIASKRAGE
LYGLDILKENLADEEWNITRFFCIAHENNPDISHLKVRPDVARQKTSIVF
ALPNEQGSLFRALATFALRGIDLTKIESRPSRKKAFEYLFYADFIGHRED
QNVHNALENLREFATMVKVLGSYGVVNP
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 chain2qmx Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qmx Structures of open (R) and close (T) states of prephenate dehydratase (PDT) - implication of allosteric regulation by L-phenylalanine.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N206 E207 L211 S230 Y240 F242
Binding residue
(residue number reindexed from 1)		N204 E205 L209 S228 Y238 F240
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T171 F173
Catalytic site (residue number reindexed from 1) T169 F171
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
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:2qmx, PDBe:2qmx, PDBj:2qmx
PDBsum2qmx
PubMed18171624
UniProtQ8KBW6

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