Structure of PDB 3omf Chain A Binding Site BS02

Receptor Information
>3omf Chain A (length=111) Species: 294381 (Entamoeba histolytica HM-1:IMSS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSCIFCKIAQKQIPSTIVYEDDEIFAFKDINPIAPIHILVIPKQHIASLN
EITEENEAFIGKVLYKVSLIGKKECPEGYRVVNNIGEDAGQTVKHIHFHI
LGGKKLAWDKL
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 chain3omf Chain A Residue 115 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3omf Structures of a histidine triad family protein from Entamoeba histolytica bound to sulfate, AMP and GMP.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F29 D31 I32 L41 N86 Q93 T94 H99 H101
Binding residue
(residue number reindexed from 1)		F27 D29 I30 L39 N84 Q91 T92 H97 H99
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N86 H97 H99 H101
Catalytic site (residue number reindexed from 1) N84 H95 H97 H99
Enzyme Commision number 3.9.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0043530 adenosine 5'-monophosphoramidase activity
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:3omf, PDBe:3omf, PDBj:3omf
PDBsum3omf
PubMed25945711
UniProtC4LYI2|HIT_ENTH1 Histidine triad nucleotide-binding protein (Gene Name=EHI_093910)

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