Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T00972 Target Info
Target Name Human immunodeficiency virus Envelope glycoprotein gp120 (HIV gp120)
Synonyms Env polyprotein gp120 (33-511)
Target Type Successful Target
Gene Name HIV gp120
UniProt ID
ENV_HV1H2
Drug Binding Sites of Target  Top
Ligand Name: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE Ligand Info
Structure Description Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR PDB:5CMZ
Method X-ray diffraction Resolution 2.57 Å Mutation Yes [1]
PDB Sequence
IVQQQNNLLR
12
AIEAQQHLLQ
22
LTVWGIKQLQ
32
ARILAVERYL
42
KDQ
Residue
Distance (Å)
ALA37
4.641
VAL38
4.565
Residue
Distance (Å)
TYR41
3.928
Ligand Name: Phosphocholine Ligand Info
Structure Description crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide PDB:6SNC
Method X-ray diffraction Resolution 3.20 Å Mutation No [2]
PDB Sequence
NWFDITNWLW
680
YIKLFIMIV
Residue
Distance (Å)
TRP680
3.276
Residue
Distance (Å)
TYR681
3.206
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Dodecylphosphocholine Ligand Info
Structure Description crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide PDB:6SND
Method X-ray diffraction Resolution 3.10 Å Mutation No [2]
PDB Sequence
NWFDITNWLW
680
YIKLFIMIV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DPV or .DPV2 or .DPV3 or :3DPV;style chemicals stick;color identity;select .C:680 or .C:681 or .C:684 or .C:685; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
TRP680
3.408
TYR681
3.656
Residue
Distance (Å)
LEU684
4.047
PHE685
3.553
Ligand Name: (2r)-3-(Phosphonooxy)propane-1,2-Diyl Dihexanoate Ligand Info
Structure Description Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA) PDB:6O3J
Method X-ray diffraction Resolution 3.42 Å Mutation No [3]
PDB Sequence
NWFDITNWLW
680
YIKKK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .44E or .44E2 or .44E3 or :344E;style chemicals stick;color identity;select .G:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LYS683
3.498
Residue
Distance (Å)
References  Top
REF 1 Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy. Sci Rep. 2015 Aug 19;5:13028.
REF 2 Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01. Cell Host Microbe. 2019 Nov 13;26(5):623-637.e8.
REF 3 An MPER antibody neutralizes HIV-1 using germline features shared among donors. Nat Commun. 2019 Nov 26;10(1):5389.

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