Structure of PDB 1jfs Chain A Binding Site BS02

Receptor Information
>1jfs Chain A (length=339) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVA
RSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNL
EKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDFGEAK
ADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLERNTGAGRLAGFM
KAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMA
MGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETA
FNMLLDRIVNKREEPQSIEVHPRLIERRSVADGPFRDYR
Ligand information
Ligand IDHPA
InChIInChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyFDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1c2c(N=CN1)ncn2
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)N=CNC2=O
CACTVS 3.341O=C1NC=Nc2nc[nH]c12
FormulaC5 H4 N4 O
NameHYPOXANTHINE
ChEMBLCHEMBL1427
DrugBankDB04076
ZINCZINC000018153302
PDB chain1jfs Chain A Residue 599 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1jfs Role of residue 147 in the gene regulatory function of the Escherichia coli purine repressor.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Y73 F74 R190 T192 R196 F221 D275
Binding residue
(residue number reindexed from 1)		Y72 F73 R189 T191 R195 F220 D274
Annotation score4
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1jfs, PDBe:1jfs, PDBj:1jfs
PDBsum1jfs
PubMed11781089
UniProtP0ACP7|PURR_ECOLI HTH-type transcriptional repressor PurR (Gene Name=purR)

[Back to BioLiP]