Structure of PDB 3tcy Chain A Binding Site BS01

Receptor Information
>3tcy Chain A (length=277) Species: 536 (Chromobacterium violaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVVPDITTRKNVGLSHDANDFTLPQPLDRYSAEDHATWATLYQRQCKLLP
GRACDEFLEGLERLEVDADRVPDFNKLNEKLMAATGWKIVAVPGLIPDDV
FFEHLANRRFPVTWWLREPHQLDYLQEPDVFHDLFGHVPLLINPVFADYL
EAYGKGGVKAKALGALPMLARLYWYTVEFGLINTPAGMRIYGAGILSSKS
ESIYCLDSASPNRVGFDLMRIMNTRYRIDTFQKTYFVIDSFKQLFDATAP
DFAPLYLQLADAQPWGAGDIAPDDLVL
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 chain3tcy Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tcy 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 D257 F258
Binding residue
(residue number reindexed from 1)		A152 Y153 K159 L169 T248 P250 D251 F252
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=4.62,Kd=24uM
Enzymatic activity
Catalytic site (original residue number in PDB) H138 H143 E184 S203
Catalytic site (residue number reindexed from 1) H132 H137 E178 S197
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:3tcy, PDBe:3tcy, PDBj:3tcy
PDBsum3tcy
PubMed23860686
UniProtP30967|PH4H_CHRVO Phenylalanine-4-hydroxylase (Gene Name=phhA)

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