Structure of PDB 1xz8 Chain A Binding Site BS03

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 ID3GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(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
InChIKeyZDPUTNZENXVHJC-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO
FormulaC10 H14 N5 O8 P
NameGUANOSINE-3'-MONOPHOSPHATE
ChEMBL
DrugBankDB03315
ZINCZINC000004807333
PDB chain1xz8 Chain A Residue 300 [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)		R41 D105
Binding residue
(residue number reindexed from 1)		R41 D88
Annotation score1
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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