Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T56915 Target Info
Target Name Human immunodeficiency virus Protease (HIV PR)
Synonyms HIV Retropepsin; HIV PR
Target Type Successful Target
Gene Name HIV PR
Biochemical Class Peptidase
UniProt ID
POL_HV1B1
Ligand General Information  Top
Ligand Name Formamide Ligand Info
Canonical SMILES C(=O)N
InChI 1S/CH3NO/c2-1-3/h1H,(H2,2,3)
InChIKey ZHNUHDYFZUAESO-UHFFFAOYSA-N
PubChem Compound ID 713
Drug Binding Sites of Target  Top
PDB ID: 3K4V      New crystal form of HIV-1 Protease/Saquinavir structure reveals carbamylation of N-terminal proline
Method X-ray diffraction Resolution 1.39 Å Mutation Yes [1]
PDB Sequence
PQITLWKRPL
10
VTIKIGGQLK
20
EALLDTGADD
30
TVIEEMSLPG
40
RWKPKMIGGI
50

GGFIKVRQYD
60
QIIIEIAGHK
70
AIGTVLVGPT
80
PVNIIGRNLL
90
TQIGATLNF
Residue
Distance (Å)
PRO1
1.336
Residue
Distance (Å)
GLN2
3.467
PDB ID: 3NDT      HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure
Method X-ray diffraction Resolution 1.72 Å Mutation Yes [2]
PDB Sequence
PQITLWKRPL
11
VTIKIGGQLK
21
EALLDTGADD
31
TVIEEMSLPG
41
RWKPKMIGGI
51

GGFIKVRQYD
61
QIIIEIAGHK
71
AIGTVLVGPT
81
PVNIIGRNLL
91
TQIGATLNF
Residue
Distance (Å)
PRO2
1.338
Residue
Distance (Å)
GLN3
3.969
References  Top
REF 1 Carbamylation of N-terminal proline. ACS Med Chem Lett. 2010 Jun 2;1(6):254-7.
REF 2 Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures. doi:10.1021/cg200514z.

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