Structure of PDB 4ma0 Chain A Binding Site BS01

Receptor Information
>4ma0 Chain A (length=366) 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]
MKIGIIGAGQLARMLSLAGTPLGLEFHCLGKNGDCAEEVVKTVTDIELTK
VNDVVAWAKQFDVITFENENISHELIKAINHEVSVYPSAKAIAISQDRLL
EKSFMQDHGIATAKFVNIDSLAKLQSAVDDHGLPAILKTRRFGYDGKGQF
VIRSQEDITKAWDVLKDAPDGLIYEAFVDFDYEVSQICTADLKGNIAFYP
LARNTHKQGIIVESEAPFENVVLAEKAQQIAKILVKEFAYVGTLAIEFFV
KGDELIVNEIAPRVHNSGHWSIDGAVTSQFENHVRAIAGLILGDTTSRKT
VMLNCIGGMPATKDLAALDRVKIHSYNKEPRKGRKVGHLNLNLNDETDEY
QLLQVKKLIALSEEIA
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 chain4ma0 Chain A Residue 401 [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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PDB4ma0 The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with partially hydrolysed ATP
Resolution1.982 Å
Binding residue
(original residue number in PDB)		I136 K138 E175 A176 F177 V178 E183 H206 F249 E259
Binding residue
(residue number reindexed from 1)		I136 K138 E175 A176 F177 V178 E183 H206 F249 E259
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y144 G146 E247 E259 N266 S267 K335
Catalytic site (residue number reindexed from 1) Y144 G146 E247 E259 N266 S267 K335
Enzyme Commision number 6.3.4.18: 5-(carboxyamino)imidazole ribonucleotide synthase.
Gene Ontology
Molecular Function
GO:0004638 phosphoribosylaminoimidazole carboxylase activity
GO:0005524 ATP binding
GO:0016829 lyase activity
GO:0016874 ligase activity
GO:0034028 5-(carboxyamino)imidazole ribonucleotide synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4ma0, PDBe:4ma0, PDBj:4ma0
PDBsum4ma0
PubMed
UniProtQ5NGE8

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