Structure of PDB 2cem Chain B

Receptor sequence
>2cemB (length=99) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence]
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGI
GGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
3D structure
PDB2cem Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold.
ChainB
Resolution1.8 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 2AH B D125 G127 A128 D129 D130 V132 G148 G149 I150 P181 V182 D25 G27 A28 D29 D30 V32 G48 G49 I50 P81 V82 MOAD: Ki=12nM
PDBbind-CN: -logKd/Ki=7.92,Ki=12nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2cem, PDBe:2cem, PDBj:2cem
PDBsum2cem
PubMed16509598
UniProtQ8Q3H0

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