Structure of PDB 2pk6 Chain A

Receptor sequence

>2pk6A (length=99) Species: 11676 (Human immunodeficiency virus 1)

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGI
GGFIKVRQYDQIIIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

3D structure

• PDB: 2pk6 Compensating enthalpic and entropic changes hinder binding affinity optimization.
• Chain: A
• Resolution: 1.45 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D25 T26 G27
• Catalytic site (residue number reindexed from 1): D25 T26 G27

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	O33	A	R8 D25 G27 A28 D29 D30 V32 I47 G48 I50 P81 V82 I84	R8 D25 G27 A28 D29 D30 V32 I47 G48 I50 P81 V82 I84	PDBbind-CN: -logKd/Ki=10.89,Kd=13pM

Gene Ontology

Molecular Function

• GO:0004190 aspartic-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:2pk6, PDBe:2pk6, PDBj:2pk6
• PDBsum: 2pk6
• PubMed: 17581235
• UniProt: Q9Q2G8