Structure of PDB 3bc4 Chain A

Receptor sequence

>3bc4A (length=99) Species: 11676 (Human immunodeficiency virus 1)

PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGI
GGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF

3D structure

• PDB: 3bc4 Targeting the open-flap conformation of HIV-1 protease with pyrrolidine-based inhibitors
• Chain: A
• Resolution: 1.82 Å

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.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	LLG	A	D25 G27 V82	D25 G27 V82	MOAD: Ki=4.5uM PDBbind-CN: -logKd/Ki=5.35,Ki=4.5uM
BS02	LLG	A	G48 I50 G52	G48 I50 G52	MOAD: Ki=4.5uM PDBbind-CN: -logKd/Ki=5.35,Ki=4.5uM

Gene Ontology

Molecular Function

• GO:0004190 aspartic-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:3bc4, PDBe:3bc4, PDBj:3bc4
• PDBsum: 3bc4
• PubMed: 18720485
• UniProt: P04587|POL_HV1B5 Gag-Pol polyprotein (Gene Name=gag-pol)