Structure of PDB 4s27 Chain A Binding Site BS03

Receptor Information
>4s27 Chain A (length=514) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSPDFQPIPSFEECFPKSTKEHKEVVHEESGHVLKVPFRRVHLSGGEPAF
DNYDTSGPQNVNAHIGLAKLRKEWIDRREKLGTPRYTQMYYAKQGIITEE
MLYCATREKLDPEFVRSEVARGRAIIPSNKKHLELEPMIVGRKFLVKVNA
NIGNSAVASSIEEEVYKVQWATMWGADTIMDLSTGRHIHETREWILRNSA
VPVGTVPIYQALEKVDGIAENLNWEVFRETLIEQAEQGVDYFTIHAGVLL
RYIPLTAKRLTGIVSRGGSIHAKWCLAYHKENFAYEHWDDILDICNQYDV
ALSIGDGLRPGSIYDANDTAQFAELLTQGELTRRAWEKDVQVMNEGPGHV
PMHKIPENMQKQLEWCNEAPFYTLGPLTTDIAPGYDHITSAIGAANIGAL
GTALLCYVTPKEHLGLPNRDDVKAGVIAYKIAAHAADLAKQHPHAQAWDD
ALSKARFEFRWMDQFALSLDPMTAMSFHDETLPADGAKVAHFCSMCGPKF
CSMKITEDIRKYAE
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain4s27 Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4s27 Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase.
Resolution1.27 Å
Binding residue
(original residue number in PDB)		V341 R386 H426 H490
Binding residue
(residue number reindexed from 1)		V264 R309 H349 H413
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.99.17: phosphomethylpyrimidine synthase.
Gene Ontology
Molecular Function
GO:0016830 carbon-carbon lyase activity
GO:0051536 iron-sulfur cluster binding
Biological Process
GO:0009228 thiamine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4s27, PDBe:4s27, PDBj:4s27
PDBsum4s27
PubMed25813242
UniProtO82392|THIC_ARATH Phosphomethylpyrimidine synthase, chloroplastic (Gene Name=THIC)

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