Receptor
PDB id Resolution Class Description Source Keywords
1TK2 1.54 Å EC: 3.4.21.62 CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN ALKALINE PRO SAVINASE AND GRAMICIDIN S AT 1.5A RESOLUTION BACILLUS LENTUS GRAMICIDIN ANTIBIOTIC ANTIFUNGAL ANTIBACTERIAL CYCLIC GRMEMBRANE ION CHANNEL HYDROLASE-ANTIBIOTIC COMPLEX
Ref.: CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN ALK PROTEINASE SAVINASE AND GRAMICIDIN S AT 1.5A RESOLU TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1276;
A:1277;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO B:1;
 Valid;
 none;
 submit data
1146.51 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TK2 1.54 Å EC: 3.4.21.62 CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN ALKALINE PRO SAVINASE AND GRAMICIDIN S AT 1.5A RESOLUTION BACILLUS LENTUS GRAMICIDIN ANTIBIOTIC ANTIFUNGAL ANTIBACTERIAL CYCLIC GRMEMBRANE ION CHANNEL HYDROLASE-ANTIBIOTIC COMPLEX
Ref.: CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN ALK PROTEINASE SAVINASE AND GRAMICIDIN S AT 1.5A RESOLU TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TK2 - VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 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 1 families.
1 1TK2 - VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO n/a n/a
2 1SUA - ALA LEU ALA LEU n/a n/a
3 5OX2 - VAL GLU GLU ASP HIS VAL ALA HIS ALA 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 1 families.
1 2B6N - ALA PRO THR n/a n/a
2 1OYO - 3ID C8 H7 N O2 c1c[nH]c2c....
3 1TK2 - VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO n/a n/a
4 1SUA - ALA LEU ALA LEU n/a n/a
5 5OX2 - VAL GLU GLU ASP HIS VAL ALA HIS ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 1 1
2 LEU SER SER PRO VAL THR LYS SER PHE 0.542857 0.84127
3 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.5 0.857143
4 TYR ASP LEU SEP LEU PRO PHE PRO 0.5 0.753425
5 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.5 0.857143
6 PHE PRO THR LYS ASP VAL ALA LEU 0.496599 0.828125
7 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.476821 0.830769
8 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.474359 0.901639
9 LEU ASN PHE PRO ILE SER PRO 0.470588 0.818182
10 VAL MET ALA PRO ARG THR LEU PHE LEU 0.467949 0.702703
11 THR THR ALA PRO PHE LEU SER GLY LYS 0.467105 0.80303
12 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.466216 0.848485
13 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.461538 0.875
14 LEU PHE GLY TYR PRO VAL TYR VAL 0.458904 0.857143
15 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.457317 0.771429
16 SER LEU LEU LYS LYS LEU LEU LEU ALA PRO 0.455285 0.793651
17 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.452703 0.888889
18 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.451613 0.742857
19 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.445946 0.779412
20 LEU PRO PHE GLU LYS SER THR VAL MET 0.443038 0.768116
21 ARG SEP PRO VAL PHE SER 0.440789 0.69863
22 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.439189 0.828125
23 LYS PRO PHE PTR VAL ASN VAL NH2 0.437909 0.774648
24 PHE ASN PHE PRO GLN ILE THR 0.434483 0.787879
25 LYS THR PHE PRO PRO THR GLU PRO LYS 0.434211 0.8125
26 ASP LEU PRO PHE 0.434109 0.833333
27 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.432258 0.757143
28 ACE GLY LYS SER PHE SER LYS PRO ARG 0.431507 0.772727
29 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.429448 0.763889
30 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.428571 0.702703
31 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.428571 0.835821
32 MAA LYS PRO PHE 0.427481 0.877193
33 ALA PHE ARG ILE PRO LEU THR ARG 0.425806 0.757143
34 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.424837 0.84127
35 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.423313 0.746479
36 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.423077 0.776119
37 GLU LEU PRO LEU VAL LYS ILE 0.422535 0.833333
38 PHE SER ALA PTR PRO SER GLU GLU ASP 0.421769 0.722222
39 LEU PRO SER PHE GLU THR ALA LEU 0.42 0.8
40 ACE PHE PRO PRO PRO PRO THR 0.419355 0.789474
41 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.41875 0.825397
42 PRO ALA PRO PHE ALA SER ALA 0.41844 0.809524
43 LEU PRO PHE ASP LYS SER THR ILE MET 0.418182 0.757143
44 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.417722 0.774648
45 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.417178 0.791045
46 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.417178 0.901639
47 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.416667 0.787879
48 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.415663 0.818182
49 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.414634 0.835821
50 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.414634 0.846154
51 GLY ARG LEU LEU PRO 0.414062 0.777778
52 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.41358 0.69863
53 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.411392 0.836066
54 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.410256 0.818182
55 LEU PRO PHE ASP LYS THR THR ILE MET 0.409938 0.768116
56 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.409639 0.835821
57 PRO ALA PRO PHE ALA ALA ALA 0.408759 0.894737
58 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.408537 0.859375
59 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.408451 0.854839
60 ACE PHE HIS PRO ALA NH2 0.407407 0.85
61 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.406977 0.833333
62 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.406452 0.888889
63 ALA PRO ALA TRP LEU PHE GLU ALA 0.40625 0.870968
64 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.405405 0.710145
65 LYS PRO VAL LEU ARG THR ALA 0.405405 0.724638
66 ILE THR ASP GLN VAL PRO PHE SER VAL 0.405063 0.787879
67 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.404908 0.811594
68 THR PRO PRO SER PRO PHE 0.40458 0.809524
69 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.403614 0.818182
70 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.403509 0.733333
71 ALA DAL PRO PHE NIT 0.402985 0.764706
72 GLY SER ASP PRO PHE LYS 0.402878 0.765625
73 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.402439 0.71831
74 DPN PRO DAR ILE NH2 0.40146 0.793651
75 SER SER CYS PRO LEU SER LYS 0.40146 0.809524
76 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.401274 0.830769
Similar Ligands (3D)
Ligand no: 1; Ligand: VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback