Structure of PDB 1lrm Chain A Binding Site BS02

Receptor Information
>1lrm Chain A (length=307) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYN
YRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYC
GFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQ
YIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEY
IEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPL
ELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPY
TQRIEVL
Ligand information
Ligand IDHBI
InChIInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKeyFEMXZDUTFRTWPE-DZSWIPIPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
CACTVS 3.341C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O
ACDLabs 10.04O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N
CACTVS 3.341C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O
FormulaC9 H13 N5 O3
Name7,8-DIHYDROBIOPTERIN
ChEMBL
DrugBankDB04400
ZINCZINC000018181336
PDB chain1lrm Chain A Residue 429 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lrm ?
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L249 S251 F254 Y325
Binding residue
(residue number reindexed from 1)		L132 S134 F137 Y208
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H285 H290 E330 S349
Catalytic site (residue number reindexed from 1) H168 H173 E213 S232
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:1lrm, PDBe:1lrm, PDBj:1lrm
PDBsum1lrm
PubMed
UniProtP00439|PH4H_HUMAN Phenylalanine-4-hydroxylase (Gene Name=PAH)

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