Structure of PDB 1mmt Chain A Binding Site BS03

Receptor Information
>1mmt 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 IDNLE
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyLRQKBLKVPFOOQJ-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCC[C@@H](C(=O)O)N
CACTVS 3.341CCCC[CH](N)C(O)=O
CACTVS 3.341CCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CCCCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCC
FormulaC6 H13 N O2
NameNORLEUCINE
ChEMBLCHEMBL292439
DrugBankDB15458
ZINCZINC000001529322
PDB chain1mmt Chain A Residue 1427 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mmt 2.0A resolution crystal structures of the ternary complexes of human phenylalanine hydroxylase catalytic domain with tetrahydrobiopterin and 3-(2-thienyl)-L-alanine or L-norleucine: substrate specificity and molecular motions related to substrate binding
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R270 Y277 T278 H285 S349 S350
Binding residue
(residue number reindexed from 1)		R154 Y161 T162 H169 S233 S234
Annotation score2
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:1mmt, PDBe:1mmt, PDBj:1mmt
PDBsum1mmt
PubMed14568534
UniProtP00439|PH4H_HUMAN Phenylalanine-4-hydroxylase (Gene Name=PAH)

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