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Structure of PDB 1bdi Chain A Binding Site BS02

Receptor Information >1bdi Chain A (length=338) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] 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 1bdi Chain A Residue 599 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 1bdi Crystal Structure of LacI Member, PurR, Bound to DNA: Minor Groove Binding by Alpha Helices Resolution 3.0 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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