Structure of PDB 2fgu Chain B Binding Site BS01

Receptor Information
>2fgu Chain B (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]
PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGI
GGFIKVRQYDQIPVEICGHKAIGTVLVGPSPVNIIGRNLLTQIGCTLNF
Ligand information
Ligand IDQNC
InChIInChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
InChIKeyLOAUVZALPPNFOQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1nc2ccccc2cc1
CACTVS 3.370OC(=O)c1ccc2ccccc2n1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)ccc(n2)C(=O)O
FormulaC10 H7 N O2
Namequinoline-2-carboxylic acid
ChEMBLCHEMBL1160559
DrugBankDB02428
ZINCZINC000000084153
PDB chain2fgu Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fgu Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R8 P81
Binding residue
(residue number reindexed from 1)		R8 P81
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=9.18,Kd=0.66nM
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:2fgu, PDBe:2fgu, PDBj:2fgu
PDBsum2fgu
PubMed16809296
UniProtP03369|POL_HV1A2 Gag-Pol polyprotein (Gene Name=gag-pol)

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