Structure of PDB 4mc2 Chain A

Receptor sequence
>4mc2A (length=99) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence]
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGI
GGFIKVRQYDQIIIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
3D structure
PDB4mc2 Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
ChainA
Resolution1.56 Å
3D
structure
Catalytic site residues are labeled in the structure
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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 2.7.7.-
2.7.7.49: RNA-directed DNA polymerase.
2.7.7.7: DNA-directed DNA polymerase.
3.1.-.-
3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
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 525 A D25 G27 A28 D29 D30 G48 P81 V82 I84 D25 G27 A28 D29 D30 G48 P81 V82 I84 PDBbind-CN: -logKd/Ki=8.19,Ki=6.4nM
BS02 525 A R8 D25 G27 A28 D30 I50 R8 D25 G27 A28 D30 I50 PDBbind-CN: -logKd/Ki=8.19,Ki=6.4nM
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:4mc2, PDBe:4mc2, PDBj:4mc2
PDBsum4mc2
PubMed
UniProtP0C6F2|POL_HV1LW Gag-Pol polyprotein (Gene Name=gag-pol)

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