Structure of PDB 4jpy Chain A Binding Site BS02

Receptor Information
>4jpy Chain A (length=268) Species: 243365 (Chromobacterium violaceum ATCC 12472) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDITTRKNVGLSHDANDFTLPQPLDRYSAEDHATWATLYQRQCKLLPGRA
CDEFLEGLERLEVDADRVPDFNKLNEKLMAATGWKIVAVPGLIPDDVFFE
HLANRRFPVTWWLREPHEPDVFHDLFGHVPLLINPVFADYLEAYGKGGVK
AKALGALPMLARLYWYTVEFGLINTPAGMRIYGAGILSSKSESIYCLDSA
SPNRVGFDLMRIMNTRYRIDTFQKTYFVIDSFKQLFDATAPDFAPLYLQL
ADAQPWGAGDIAPDDLVL
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 chain4jpy Chain A Residue 302 [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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PDB4jpy An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Resolution2.13 Å
Binding residue
(original residue number in PDB)		A158 Y159 K165 L175 T254 A255 P256 D257 F258
Binding residue
(residue number reindexed from 1)		A143 Y144 K150 L160 T239 A240 P241 D242 F243
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=4.43,Kd=37uM
Enzymatic activity
Catalytic site (original residue number in PDB) H138 H143 E184 S203
Catalytic site (residue number reindexed from 1) H123 H128 E169 S188
Enzyme Commision number 1.14.16.1: phenylalanine 4-monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0004505 phenylalanine 4-monooxygenase activity
GO:0005506 iron ion binding
GO:0016714 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced pteridine as one donor, and incorporation of one atom of oxygen
GO:0046872 metal ion binding
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0009072 aromatic amino acid metabolic process
GO:0019293 tyrosine biosynthetic process, by oxidation of phenylalanine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4jpy, PDBe:4jpy, PDBj:4jpy
PDBsum4jpy
PubMed23860686
UniProtP30967|PH4H_CHRVO Phenylalanine-4-hydroxylase (Gene Name=phhA)

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