Structure of PDB 3qty Chain B Binding Site BS01

Receptor Information
>3qty Chain B (length=330) Species: 119856 (Francisella tularensis subsp. tularensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAVERMKQHVKKTFTQDVLTGLGSFGSLYSLKNIINNYDDPVLVQSIDGV
GTKTKVAVMCGKFENLGYDLFSAATNDIVVMGAKPITFLDYVAHDKLDPA
IMEELVKGMSKACAECGVSLVGGETAEMPGVYQAGEIDMVGVITGIVDRK
RIINGENIKEGDIVFGLSSSGLHTNGYSFARKLFFDVAGNKHTDTYPELE
GKTIGDVLLEPHINYTNIIHDFLDNGVDIKGMAHITGGGFIENIPRVLPQ
GLGAQIDKDSFATPAIFKLMQRIGDISEFEMYRSFNMGIGMTIIASQDQF
DKMQELAKKHTNTKLYQIGKITNSGKVEII
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain3qty Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qty Crystal structure of Phosphoribosylaminoimidazole Synthetase from Francisella tularensis complexed with pyrophosphate
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D107 G140 T142
Binding residue
(residue number reindexed from 1)		D90 G123 T125
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.3.1: phosphoribosylformylglycinamidine cyclo-ligase.
Gene Ontology
Molecular Function
GO:0004637 phosphoribosylamine-glycine ligase activity
GO:0004641 phosphoribosylformylglycinamidine cyclo-ligase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
GO:0046084 adenine biosynthetic 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:3qty, PDBe:3qty, PDBj:3qty
PDBsum3qty
PubMed
UniProtQ5NGF2

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