Structure of PDB 1xz8 Chain A Binding Site BS02

Receptor Information
>1xz8 Chain A (length=162) Species: 1394 ([Bacillus] caldolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQKAVVMDEQAIRRALTRIAHEIIERNKGIDGCVLVGIKTRGIYLARRLA
ERIEQIEGASVPVGELDITLYRDVPFPVTERNVILVDDVLFTGRTVRAAM
DAVMDLGRPARIQLAVLVDRGHRELPIRADFVGKNVPTSRSELIVVELSE
VDGIDQVSIHEK
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 chain1xz8 Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xz8 Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V106 F108 T109 G110 R111 T112 R137 I161
Binding residue
(residue number reindexed from 1)		V89 F91 T92 G93 R94 T95 R120 I144
Annotation score2
Enzymatic activity
Enzyme Commision number 2.4.2.9: uracil phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004845 uracil phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006353 DNA-templated transcription termination

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Molecular Function
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Biological Process
External links
PDB RCSB:1xz8, PDBe:1xz8, PDBj:1xz8
PDBsum1xz8
PubMed15716449
UniProtP41007|PYRR_BACCL Bifunctional protein PyrR (Gene Name=pyrR)

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