Structure of PDB 4jpx Chain A Binding Site BS01

Receptor Information
>4jpx Chain A (length=275) Species: 243365 (Chromobacterium violaceum ATCC 12472) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVVPDITTRKNVGLSHDANDFTLPQPLDRYSAEDHATWATLYQRQCKLLP
GRACDEFLEGLERLEVDADRVPDFNKLNEKLMAATGWKIVAVPGLIPDDV
FFEHLANRRFPVTWWLREPHQLLQEPDVFHDLFGHVPLLINPVFADYLEA
YGKGGVKAKALGALPMLARLYWYTVEFGLINTPAGMRIYGAGILPSKSES
IYCLDSASPNRVGFDLMRIMNTRYRIDTFQKTYFVIDSFKQLFDATAPDF
APLYLQLADAQPWGAGDIAPDDLVL
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 chain4jpx Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jpx An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		A158 Y159 K165 L175 T254 P256 F258
Binding residue
(residue number reindexed from 1)		A150 Y151 K157 L167 T246 P248 F250
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=5.15,Kd=7.0uM
Enzymatic activity
Catalytic site (original residue number in PDB) H138 H143 E184 P203
Catalytic site (residue number reindexed from 1) H130 H135 E176 P195
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:4jpx, PDBe:4jpx, PDBj:4jpx
PDBsum4jpx
PubMed23860686
UniProtP30967|PH4H_CHRVO Phenylalanine-4-hydroxylase (Gene Name=phhA)

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