Structure of PDB 7xis Chain A Binding Site BS03

Receptor Information
>7xis Chain A (length=145) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTN
QKTELQAIYLALQDSGLEVNIVTDSQYALGIITQWIHNWKKRGWKTPVKN
VDLVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKV
Ligand information
Ligand IDE58
InChIInChI=1S/C14H11NO8/c1-20-11-7-8(13(16)21-2)3-4-9(11)23-14(17)10-5-6-12(22-10)15(18)19/h3-7H,1-2H3
InChIKeyGPPPJBXPBOWUNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(ccc1OC(=O)c2ccc(o2)[N+](=O)[O-])C(=O)OC
CACTVS 3.385COC(=O)c1ccc(OC(=O)c2oc(cc2)[N+]([O-])=O)c(OC)c1
FormulaC14 H11 N O8
Name(2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate
ChEMBL
DrugBank
ZINC
PDB chain7xis Chain A Residue 203 [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]
PDB7xis Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		D23 A25 A26 N54 E58 D78 D139 S143 I146 R147
Binding residue
(residue number reindexed from 1)		D19 A21 A22 N50 E54 D74 D135 S139 I142 R143
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
GO:0004523 RNA-DNA hybrid ribonuclease activity

View graph for
Molecular Function
External links
PDB RCSB:7xis, PDBe:7xis, PDBj:7xis
PDBsum7xis
PubMed36184946
UniProtP04585|POL_HV1H2 Gag-Pol polyprotein (Gene Name=gag-pol)

[Back to BioLiP]