Structure of PDB 1mtb Chain A Binding Site BS01

Receptor Information
>1mtb 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]
PQITLWQRPLVTIRIGGQLKEALLNTGADDTVLEEMNLPGKWKPKMIGGI
GGFIKVRQYDQIPVEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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 chain1mtb Chain A Residue 100 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mtb Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D29 G48
Binding residue
(residue number reindexed from 1)		D29 G48
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N25 T26 G27
Catalytic site (residue number reindexed from 1) N25 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:1mtb, PDBe:1mtb, PDBj:1mtb
PDBsum1mtb
PubMed12502847
UniProtP03369|POL_HV1A2 Gag-Pol polyprotein (Gene Name=gag-pol)

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