Receptor
PDB id Resolution Class Description Source Keywords
1SVZ 1.89 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE SINGLE-CHAIN FV FRAGMENT 1696 IN COMPLEX WITH THE EPITOPE PEPTIDE CORRESPONDING TO N- T ERMINUS OF HIV-2 PROTEASE MUS MUSCULUS ANTIBODY-ANTIGEN COMPLEX; HIV INHIBITING ANTIBODY IMMUNE SYSTEM
Ref.: CRYSTAL STRUCTURE OF A CROSS-REACTION COMPLEX BETWEEN AN ANTI-HIV-1 PROTEASE ANTIBODY AND AN HIV-2 PROTEASE PEPTIDE J.STRUCT.BIOL. V. 149 332 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO GLN PHE SER LEU TRP LYS ARG C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
761.901 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SVZ 1.89 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE SINGLE-CHAIN FV FRAGMENT 1696 IN COMPLEX WITH THE EPITOPE PEPTIDE CORRESPONDING TO N- T ERMINUS OF HIV-2 PROTEASE MUS MUSCULUS ANTIBODY-ANTIGEN COMPLEX; HIV INHIBITING ANTIBODY IMMUNE SYSTEM
Ref.: CRYSTAL STRUCTURE OF A CROSS-REACTION COMPLEX BETWEEN AN ANTI-HIV-1 PROTEASE ANTIBODY AND AN HIV-2 PROTEASE PEPTIDE J.STRUCT.BIOL. V. 149 332 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
2 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
3 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
4 6K4Z - NPA C8 H7 N O5 c1cc(c(cc1....
5 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
2 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
3 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
4 6K4Z - NPA C8 H7 N O5 c1cc(c(cc1....
5 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO GLN PHE SER LEU TRP LYS ARG; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO GLN PHE SER LEU TRP LYS ARG 1 1
2 PRO ALA TRP LEU PHE GLU ALA 0.635036 0.898305
3 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.57554 0.866667
4 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.525547 0.836066
5 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.516393 0.741379
6 PRO SER M3L PHE NLW 0.515385 0.764706
7 PRO SER ARG TRP 0.514925 0.8
8 PRO LEU PAT 0.507937 0.746269
9 ALA TRP LEU PHE GLU ALA 0.507353 0.779661
10 ALA ALA TRP LEU PHE GLU ALA 0.507143 0.779661
11 GLY LEU MET TRP LEU SER TYR PHE VAL 0.506667 0.833333
12 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.503356 0.881356
13 ALA PRO ALA TRP LEU PHE GLU ALA 0.484076 0.787879
14 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.483221 0.772727
15 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.473373 0.80597
16 PRO GLY LEU TRP LYS SER 0.459459 0.881356
17 PRO GLY LEU TRP 0.451852 0.881356
18 HIS PRO HIS LEU SER 13E ALA HIS 0.45 0.846154
19 PRO ALA TRP ASP GLU THR ASN LEU 0.446541 0.903226
20 ALA LEU ASP LYS TRP GLN ASN 0.446043 0.864407
21 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.444444 0.709677
22 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.439306 0.890625
23 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.437126 0.726027
24 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.436709 0.819672
25 PCA GLN TRP 0.435115 0.733333
26 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.433735 0.80303
27 THR PRO ASP TYR PHE LEU 0.432836 0.83871
28 GLY ASN PHE LEU GLN SER ARG 0.431507 0.701493
29 ASN ASP TRP LEU LEU PRO SER TYR 0.423529 0.828571
30 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.423077 0.887097
31 SER PRO LEU ASP SER LEU TRP TRP ILE 0.42236 0.865672
32 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.42236 0.787879
33 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.421429 0.754098
34 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.41954 0.736111
35 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.418994 0.694444
36 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.416107 0.8125
37 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.413793 0.6875
38 VAL TYR ARG SER LEU SEP PHE GLU 0.412587 0.632353
39 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.412121 0.873016
40 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.411765 0.8
41 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.410256 0.825397
42 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.408284 0.815385
43 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.407643 0.80303
44 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.406977 0.903226
45 SER TRP PHE PRO 0.405594 0.815385
46 PRO ALA PRO PHE ALA SER ALA 0.405405 0.784615
47 ILE SER PRO ARG THR LEU ASP ALA TRP 0.404372 0.77027
48 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.404372 0.742857
49 GLU LEU ASP HOX TRP ALA SER 0.403846 0.83871
50 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.403509 0.808824
51 ACE ASN TRP GLU THR PHE 0.402685 0.761905
52 SER LEU LEU MET TRP ILE THR GLN SER 0.4 0.80303
53 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.4 0.887097
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO GLN PHE SER LEU TRP LYS ARG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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