Structure of PDB 4djo Chain B

Receptor sequence

>4djoB (length=99) Species: 11676 (Human immunodeficiency virus 1)

PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGI
GGFIKVRQYDQIPIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

3D structure

• PDB: 4djo Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
• Chain: B
• Resolution: 1.78 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: 3.1.26.13: retroviral ribonuclease H.

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	MK5	B	D25 A28 D30 I50 P81 V82	D25 A28 D30 I50 P81 V82	PDBbind-CN: -logKd/Ki=11.52,Ki=3pM

Gene Ontology

Molecular Function

• GO:0004190 aspartic-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:4djo, PDBe:4djo, PDBj:4djo
• PDBsum: 4djo
• PubMed: 22708897
• UniProt: Q90K99