Structure of PDB 3da8 Chain A Binding Site BS02

Receptor Information
>3da8 Chain A (length=213) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPLRVPPSAPARLVVLASGTGSLLRSLLDAAVGDYPARVVAVGVDRECRA
AEIAAEASVPVFTVRLADHPSRDAWDVAITAATAAHEPDLVVSAGFMRIL
GPQFLSRFYGRTLNTHPALLPAFPGTHGVADALAYGVKVTGATVHLVDAG
TDTGPILAQQPVPVLDGDDEETLHERIKVTERRLLVAAVAALATHGVTVV
GRTATMGRKVTIG
Ligand information
Ligand IDIOD
InChIInChI=1S/HI/h1H/p-1
InChIKeyXMBWDFGMSWQBCA-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[I-]
FormulaI
NameIODIDE ION
ChEMBL
DrugBankDB12754
ZINC
PDB chain3da8 Chain A Residue 609 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3da8 Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		T213 G215
Binding residue
(residue number reindexed from 1)		T211 G213
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N116 H118 T145 D154
Catalytic site (residue number reindexed from 1) N114 H116 T143 D152
Enzyme Commision number 2.1.2.2: phosphoribosylglycinamide formyltransferase 1.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004644 phosphoribosylglycinamide formyltransferase activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
GO:0009058 biosynthetic process
GO:0046653 tetrahydrofolate metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3da8, PDBe:3da8, PDBj:3da8
PDBsum3da8
PubMed19394344
UniProtP9WHM5|PUR3_MYCTU Phosphoribosylglycinamide formyltransferase (Gene Name=purN)

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