Structure of PDB 2hs1 Chain B

Receptor sequence
>2hs1B (length=99) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence]
PQITLWKRPLVTIKIGGQLKEALLDTGADDTIIEEMSLPGRWKPKMIGGI
GGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
3D structure
PDB2hs1 Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
ChainB
Resolution0.84 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 A128 D130 I132 P181 V182 D25 A28 D30 I32 P81 V82 MOAD: Ki=3.3nM
PDBbind-CN: -logKd/Ki=8.48,Ki=3.3nM
BS02 017 B P144 K145 K155 V156 R157 P44 K45 K55 V56 R57 MOAD: Ki=3.3nM
PDBbind-CN: -logKd/Ki=8.48,Ki=3.3nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
GO:0042802 identical protein binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2hs1, PDBe:2hs1, PDBj:2hs1
PDBsum2hs1
PubMed16962136
UniProtQ7SSI0

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