Structure of PDB 2hs2 Chain B

Receptor sequence

>2hs2B (length=99) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence]

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKLIGGI
GGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF

3D structure

PDB

2hs2 Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.

Chain

Resolution

1.22 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D125 T126 G127
Catalytic site (residue number reindexed from 1)	D25 T26 G27
Enzyme Commision number	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	017	B	D125 G127 A128 D130 I150 P181 I184	D25 G27 A28 D30 I50 P81 I84	MOAD: Ki=4.9nM PDBbind-CN: -logKd/Ki=8.31,Ki=4.9nM
BS02	017	B	P144 K145 K155 V156 R157	P44 K45 K55 V56 R57	MOAD: Ki=4.9nM PDBbind-CN: -logKd/Ki=8.31,Ki=4.9nM

Gene Ontology

	Molecular Function
GO:0004190	aspartic-type endopeptidase activity
GO:0042802	identical protein binding

	Biological Process
GO:0006508	proteolysis

External links