Structure of PDB 3e2t Chain A Binding Site BS03

Receptor Information
>3e2t Chain A (length=307) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIPWYPKKISDLDKCANRVLMYGSDLDADHPGFKDNVYRKRRKYFADLAM
NYKHGDPIPEIEFTEEEIKTWGTVYRELNKLYPTHACREYLKNLPLLTKY
CGYREDNIPQLEDVSRFLKERTGFTIRPVAGYLSPRDFLAGLAFRVFHCT
QYVRHSSDPLYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASDE
AVQKLATCYFFTVEFGLCKQEGQLRVYGAGLLSSISELKHSLSGSAKVKP
FDPKVTCKQECLITTFQEVYFVSESFEEAKEKMREFAKTIKRPFGVKYNP
YTQSVQI
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain3e2t Chain A Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e2t Crystal structure of tryptophan hydroxylase with bound amino acid substrate
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R258 Y265 T266 E268 P269 H273 F319 S337 I367
Binding residue
(residue number reindexed from 1)		R154 Y161 T162 E164 P165 H169 F215 S233 I263
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H273 H278 E318 S337
Catalytic site (residue number reindexed from 1) H169 H174 E214 S233
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:3e2t, PDBe:3e2t, PDBj:3e2t
PDBsum3e2t
PubMed18937498
UniProtP70080|TPH1_CHICK Tryptophan 5-hydroxylase 1 (Gene Name=TPH1)

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