Structure of PDB 4s25 Chain A Binding Site BS04

Receptor Information
>4s25 Chain A (length=513) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPDFQPIPSFEECFPKSTKEHKEVVHEESGHVLKVPFRRVHLSGGEPAFD
NYDTSGPQNVNAHIGLAKLRKEWIDRREKLGTPRYTQMYYAKQGIITEEM
LYCATREKLDPEFVRSEVARGRAIIPSNKKHLELEPMIVGRKFLVKVNAN
IGNSAVASSIEEEVYKVQWATMWGADTIMDLSTGRHIHETREWILRNSAV
PVGTVPIYQALEKVDGIAENLNWEVFRETLIEQAEQGVDYFTIHAGVLLR
YIPLTAKRLTGIVSRGGSIHAKWCLAYHKENFAYEHWDDILDICNQYDVA
LSIGDGLRPGSIYDANDTAQFAELLTQGELTRRAWEKDVQVMNEGPGHVP
MHKIPENMQKQLEWCNEAPFYTLGPLTTDIAPGYDHITSAIGAANIGALG
TALLCYVTPKEHLGLPNRDDVKAGVIAYKIAAHAADLAKQHPHAQAWDDA
LSKARFEFRWMDQFALSLDPMTAMSFHDETLPADGAKVAHFCSMCGPKFC
SMKITEDIRKYAE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4s25 Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4s25 Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H426 H490
Binding residue
(residue number reindexed from 1)		H348 H412
Annotation score1
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:4s25, PDBe:4s25, PDBj:4s25
PDBsum4s25
PubMed25813242
UniProtO82392|THIC_ARATH Phosphomethylpyrimidine synthase, chloroplastic (Gene Name=THIC)

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