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...
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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 199 families.
1 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 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 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 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 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO GLN PHE SER LEU TRP LYS ARG; Similar ligands found: 52
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 0.618705 0.864407
3 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.52518 0.819672
4 PRO SER M3L PHE NLW 0.519084 0.764706
5 PRO LEU PAT 0.5 0.716418
6 ALA TRP LEU PHE GLU ALA 0.49635 0.762712
7 ALA ALA TRP LEU PHE GLU ALA 0.485915 0.762712
8 GLY LEU MET TRP LEU SER TYR PHE VAL 0.480519 0.818182
9 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.477941 0.786885
10 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.467456 0.80597
11 PRO GLN PRO VAL ASP SER TRP VAL 0.466258 0.848485
12 ALA PRO ALA TRP LEU PHE GLU ALA 0.4625 0.772727
13 PRO HIS LEU SER PHE MET ALA HIS 0.462025 0.830769
14 THR LEU PRO TRP ASP LEU TRP THR THR 0.458065 0.820895
15 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.454023 0.735294
16 ALA LEU ASP LYS TRP GLN ASN 0.448529 0.830508
17 IVA HIS PRO PHE HIS STA LEU PHE 0.445946 0.868852
18 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.441718 0.753846
19 ARG ARG ARG ARG SER TRP TYR 0.441379 0.75
20 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.440252 0.819672
21 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.435294 0.726027
22 THR PRO ASP TYR PHE LEU 0.433824 0.806452
23 GLY ASN PHE LEU GLN SER ARG 0.431507 0.701493
24 PCA GLN TRP 0.428571 0.733333
25 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.425 0.787879
26 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.422619 0.80303
27 SER LEU LEU MET TRP ILE THR GLN SER 0.417722 0.80303
28 ARG LEU TRP SER 0.417266 0.784615
29 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.416185 0.75
30 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.41573 0.694444
31 SER LEU LEU MET TRP ILE THR GLN ALA 0.415094 0.80303
32 SER LEU LEU MET TRP ILE THR GLN LEU 0.414013 0.80303
33 SER PRO LEU ASP SER LEU TRP TRP ILE 0.41358 0.850746
34 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.413333 0.796875
35 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.413174 0.870968
36 MET LEU ILE TYR SER MET TRP GLY LYS 0.412791 0.850746
37 GLU PRO GLN ALA PRO TRP MET GLU 0.412121 0.704225
38 SER LEU LEU MET TRP ILE THR GLN CYS 0.409938 0.80303
39 ILE SER PRO ARG THR LEU ASP ALA TRP 0.409836 0.77027
40 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.409639 0.873016
41 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.409396 0.661538
42 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.409091 0.890625
43 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.408377 0.76
44 PRO ALA PRO PHE ALA SER ALA 0.406667 0.769231
45 GLU LEU ASP HOX TRP ALA SER 0.406452 0.83871
46 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.405556 0.726027
47 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.405556 0.714286
48 GLU LEU GLU LYS TRP ALA SER 0.405405 0.898305
49 SER LEU LEU MET TRP ILE THR GLN VAL 0.403727 0.80303
50 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.403509 0.808824
51 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.402516 0.686567
52 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.402299 0.726027
Similar Binding Sites (Proteins are less than 50% similar to leader)
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