Structure of PDB 5j6d Chain A Binding Site BS01

Receptor Information
>5j6d Chain A (length=292) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
METVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADL
AMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLS
KYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFH
CTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGAS
EEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKV
KPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTI
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain5j6d Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5j6d Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H272 H277 E317
Binding residue
(residue number reindexed from 1)		H171 H176 E216
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H272 H277 E317 S336
Catalytic site (residue number reindexed from 1) H171 H176 E216 S235
Enzyme Commision number 1.14.16.4: tryptophan 5-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:5j6d, PDBe:5j6d, PDBj:5j6d
PDBsum5j6d
PubMed27146606
UniProtP17752|TPH1_HUMAN Tryptophan 5-hydroxylase 1 (Gene Name=TPH1)

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