Structure of PDB 3m84 Chain A Binding Site BS01

Receptor Information
>3m84 Chain A (length=348) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMAGLKYEDAGVNIEAGNQAVERMKQHVKKTFTQDVLTGLGSFGSLYSLK
NIINNYDDPVLVQSIDGVGTKTKVAVMCGKFENLGYDLFSAATNDIVVMG
AKPITFLDYVAHDKLDPAIMEELVKGMSKACAECGVSLVGGETAEMPGVY
QAGEIDMVGVITGIVDRKRIINGENIKEGDIVFGLSSSGLHTNGYSFARK
LFFDVAGNKHTDTYPELEGKTIGDVLLEPHINYTNIIHDFLDNGVDIKGM
AHITGGGFIENIPRVLPQGLGAQIDKDSFATPAIFKLMQRIGDISEFEMY
RSFNMGIGMTIIASQDQFDKMQELAKKHTNTKLYQIGKITNSGKVEII
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain3m84 Chain A Residue 354 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3m84 Crystal Structure of Phosphoribosylaminoimidazole Synthetase from Francisella tularensis
Resolution1.699 Å
Binding residue
(original residue number in PDB)		S41 D107 G140 E141
Binding residue
(residue number reindexed from 1)		S42 D108 G141 E142
Annotation score4
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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Cellular Component
External links
PDB RCSB:3m84, PDBe:3m84, PDBj:3m84
PDBsum3m84
PubMed
UniProtQ5NGF2

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