Structure of PDB 3vqq Chain A Binding Site BS03

Receptor Information
>3vqq 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]
SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTVKAACDWAGIKQEDGIPYNPMNKELKKIIGQ
VRDQAEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATDI
Ligand information
Ligand IDBTE
InChIInChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKeyDRLGIZIAMHIQHL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1cccc2nsnc12
ACDLabs 12.01n1snc2c(cccc12)N
OpenEye OEToolkits 1.7.6c1cc(c2c(c1)nsn2)N
FormulaC6 H5 N3 S
Name2,1,3-benzothiadiazol-4-amine
ChEMBLCHEMBL1447590
DrugBank
ZINCZINC000000161237
PDB chain3vqq Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vqq Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H185 G197
Binding residue
(residue number reindexed from 1)		H121 G133
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
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:3vqq, PDBe:3vqq, PDBj:3vqq
PDBsum3vqq
PubMed23139382
UniProtQ72498

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