Structure of PDB 3lpu Chain A Binding Site BS02

Receptor Information
>3lpu Chain A (length=144) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKL
AGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPSMNKELKKI
IGQVRDQAEHLKTAVQMAVFIHNKKRKGYSAGERIVDIIATDIQ
Ligand information
Ligand IDP03
InChIInChI=1S/C10H22O5/c11-3-9-14-7-1-5-13-6-2-8-15-10-4-12/h11-12H,1-10H2
InChIKeyGNAZJSIZGCDIQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352OCCOCCCOCCCOCCO
OpenEye OEToolkits 1.7.0C(COCCCOCCO)COCCO
FormulaC10 H22 O5
Name2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
ChEMBL
DrugBank
ZINCZINC000058633634
PDB chain3lpu Chain A Residue 213 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lpu Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Q95 E96 Y99
Binding residue
(residue number reindexed from 1)		Q41 E42 Y45
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.-
2.7.7.49: RNA-directed DNA polymerase.
2.7.7.7: DNA-directed DNA polymerase.
3.1.-.-
3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
3.4.23.16: HIV-1 retropepsin.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
Biological Process
GO:0015074 DNA integration

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Molecular Function
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Biological Process
External links
PDB RCSB:3lpu, PDBe:3lpu, PDBj:3lpu
PDBsum3lpu
PubMed20473303
UniProtP12497|POL_HV1N5 Gag-Pol polyprotein (Gene Name=gag-pol)

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