Structure of PDB 3oxk Chain A Binding Site BS02

Receptor Information
>3oxk Chain A (length=115) Species: 294381 (Entamoeba histolytica HM-1:IMSS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMADSCIFCKIAQKQIPSTIVYEDDEIFAFKDINPIAPIHILVIPKQHI
ASLNEITEENEAFIGKVLYKVSLIGKKECPEGYRVVNNIGEDAGQTVKHI
HFHILGGKKLAWDKL
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain3oxk Chain A Residue 125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oxk Structures of a histidine triad family protein from Entamoeba histolytica bound to sulfate, AMP and GMP.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		F29 D31 I32 L41 N86 Q93 T94 H99 H101
Binding residue
(residue number reindexed from 1)		F31 D33 I34 L43 N88 Q95 T96 H101 H103
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N86 H97 H99 H101
Catalytic site (residue number reindexed from 1) N88 H99 H101 H103
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
View graph for
Cellular Component
External links
PDB RCSB:3oxk, PDBe:3oxk, PDBj:3oxk
PDBsum3oxk
PubMed25945711
UniProtC4LYI2|HIT_ENTH1 Histidine triad nucleotide-binding protein (Gene Name=EHI_093910)

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