Structure of PDB 1t47 Chain B Binding Site BS01

Receptor Information
>1t47 Chain B (length=362) Species: 33903 (Streptomyces avermitilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPFPVKGMDAVVFAVGNAKQAAHYYSTAFGMQLVAYSGPENGSRETASYV
LTNGSARFVLTSVIKPATPWGHFLADHVAEHGDGVVDLAIEVPDARAAHA
YAIEHGARSVAEPYELKDEHGTVVLAAIATYGKTRHTLVDRTGYDGPYLP
GYVAAAPIVEPPAHRTFQAIDHCVGNVELGRMNEWVGFYNKVMGFTNMKE
FVGDDIATEYSALMSKVVADGTLKVKFPINEPALAKKKSQIDEYLEFYGG
AGVQHIALNTGDIVETVRTMRAAGVQFLDTPDSYYDTLGEWVGDTRVPVD
TLRELKILADRDEDGYLLQIFTKPVQDRPTVFFEIIERHGSMGFGKGNFK
ALFEAIEREQEK
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain1t47 Chain B Residue 430 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t47 Structure of the Ferrous Form of (4-Hydroxyphenyl)pyruvate Dioxygenase from Streptomyces avermitilis in Complex with the Therapeutic Herbicide, NTBC
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H187 H270 E349
Binding residue
(residue number reindexed from 1)		H172 H255 E334
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.27: 4-hydroxyphenylpyruvate dioxygenase.
Gene Ontology
Molecular Function
GO:0003868 4-hydroxyphenylpyruvate dioxygenase activity
GO:0016701 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0006572 tyrosine catabolic process
GO:0009072 aromatic amino acid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1t47, PDBe:1t47, PDBj:1t47
PDBsum1t47
PubMed15157070
UniProtQ53586|HPPD_STRAW 4-hydroxyphenylpyruvate dioxygenase (Gene Name=hpd)

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