Structure of PDB 1pnr Chain A Binding Site BS02
Receptor Information
>1pnr Chain A (length=338) Species:
562
(Escherichia coli) [
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TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVAR
SLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLE
KQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKA
DFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLERNTGAGRLAGFMK
AMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAM
GALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAF
NMLLDRIVNKREEPQSIEVHPRLIERRSVADGPFRDYR
Ligand information
Ligand ID
HPA
InChI
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
FDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C1c2c(N=CN1)ncn2
OpenEye OEToolkits 1.5.0
c1[nH]c2c(n1)N=CNC2=O
CACTVS 3.341
O=C1NC=Nc2nc[nH]c12
Formula
C5 H4 N4 O
Name
HYPOXANTHINE
ChEMBL
CHEMBL1427
DrugBank
DB04076
ZINC
ZINC000018153302
PDB chain
1pnr Chain A Residue 599 [
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Receptor-Ligand Complex Structure
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PDB
1pnr
Crystal structure of LacI member, PurR, bound to DNA: minor groove binding by alpha helices.
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
Y73 F74 R190 T192 R196 F221 D275
Binding residue
(residue number reindexed from 1)
Y71 F72 R188 T190 R194 F219 D273
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0000976
transcription cis-regulatory region binding
GO:0001217
DNA-binding transcription repressor activity
GO:0002057
guanine binding
GO:0003677
DNA binding
GO:0003700
DNA-binding transcription factor activity
GO:0005515
protein binding
GO:0042803
protein homodimerization activity
Biological Process
GO:0006164
purine nucleotide biosynthetic process
GO:0006355
regulation of DNA-templated transcription
GO:0045892
negative regulation of DNA-templated transcription
GO:1900372
negative regulation of purine nucleotide biosynthetic process
Cellular Component
GO:0005829
cytosol
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1pnr
,
PDBe:1pnr
,
PDBj:1pnr
PDBsum
1pnr
PubMed
7973627
UniProt
P0ACP7
|PURR_ECOLI HTH-type transcriptional repressor PurR (Gene Name=purR)
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