Structure of PDB 5vck Chain A Binding Site BS02

Receptor Information
>5vck Chain A (length=99) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGI
GGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Ligand information
Ligand ID7GC
InChIInChI=1S/C11H11N3O3S2/c1-8-2-4-9(5-3-8)19(16,17)14-10(15)13-11-12-6-7-18-11/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyZXPLKYLPCUVOFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2sccn2
ACDLabs 12.01Cc1ccc(cc1)S(NC(Nc2sccn2)=O)(=O)=O
FormulaC11 H11 N3 O3 S2
Name4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide;
4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide
ChEMBLCHEMBL1707026
DrugBank
ZINCZINC000000984004
PDB chain5vck Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vck Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I15 G16 G17 L63 E65
Binding residue
(residue number reindexed from 1)		I15 G16 G17 L63 E65
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D25 T26 G27
Catalytic site (residue number reindexed from 1) D25 T26 G27
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:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:5vck, PDBe:5vck, PDBj:5vck
PDBsum5vck
PubMed
UniProtP12497|POL_HV1N5 Gag-Pol polyprotein (Gene Name=gag-pol)

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