Structure of PDB 4pah Chain A Binding Site BS02

Receptor Information
>4pah Chain A (length=308) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAY
NYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKY
CGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCT
QYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDE
YIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLP
LELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDP
YTQRIEVL
Ligand information
Ligand IDLNR
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
InChIKeySFLSHLFXELFNJZ-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1[C@H](CN)O)O)O
CACTVS 3.370NC[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 1.7.6c1cc(c(cc1C(CN)O)O)O
ACDLabs 12.01Oc1ccc(cc1O)C(O)CN
CACTVS 3.370NC[C@H](O)c1ccc(O)c(O)c1
FormulaC8 H11 N O3
NameL-NOREPINEPHRINE;
NORADRENALINE
ChEMBLCHEMBL1437
DrugBankDB00368
ZINCZINC000000057624
PDB chain4pah Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pah Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F254 H285 H290 Y325 E330
Binding residue
(residue number reindexed from 1)		F138 H169 H174 Y209 E214
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H285 H290 E330 S349
Catalytic site (residue number reindexed from 1) H169 H174 E214 S233
Enzyme Commision number 1.14.16.1: phenylalanine 4-monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 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
Biological Process
GO:0009072 aromatic amino acid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4pah, PDBe:4pah, PDBj:4pah
PDBsum4pah
PubMed9843368
UniProtP00439|PH4H_HUMAN Phenylalanine-4-hydroxylase (Gene Name=PAH)

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