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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
Ligand no: 1; Ligand: VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO; Similar ligands found: 78
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 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.5 0.857143
5 PHE PRO THR LYS ASP VAL ALA LEU 0.496599 0.828125
6 SER ASP ILE LEU PHE PRO ALA ASP SER 0.492857 0.8
7 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.48125 0.760563
8 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.477612 0.8125
9 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.476821 0.830769
10 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.474359 0.901639
11 LEU ASN PHE PRO ILE SER PRO 0.470588 0.818182
12 VAL MET ALA PRO ARG THR LEU PHE LEU 0.467949 0.702703
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 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.452703 0.888889
17 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.451613 0.742857
18 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.447368 0.702703
19 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.447059 0.873016
20 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.445946 0.779412
21 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.443609 0.769231
22 LEU PRO PHE GLU LYS SER THR VAL MET 0.443038 0.768116
23 ARG SEP PRO VAL PHE SER 0.440789 0.69863
24 LYS PRO PHE PTR VAL ASN VAL NH2 0.437909 0.774648
25 PHE ASN PHE PRO GLN ILE THR 0.434483 0.787879
26 LYS THR PHE PRO PRO THR GLU PRO LYS 0.434211 0.8125
27 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.432258 0.757143
28 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.431655 0.794118
29 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.429448 0.763889
30 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.429412 0.753425
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 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.423077 0.776119
35 ALA THR PRO PHE GLN GLU 0.422764 0.786885
36 GLU LEU PRO LEU VAL LYS ILE 0.422535 0.833333
37 PHE SER ALA PTR PRO SER GLU GLU ASP 0.421769 0.722222
38 LEU PRO SER PHE GLU THR ALA LEU 0.42 0.8
39 ACE PHE PRO PRO PRO PRO THR 0.419355 0.789474
40 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.41875 0.825397
41 PRO ALA PRO PHE ALA SER ALA 0.41844 0.809524
42 LEU PRO PHE ASP LYS SER THR ILE MET 0.418182 0.757143
43 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.417722 0.774648
44 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.417178 0.791045
45 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.417178 0.901639
46 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.416667 0.787879
47 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.415663 0.818182
48 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.414634 0.846154
49 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.414634 0.835821
50 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.41358 0.69863
51 GLY SER ASP PRO PHE LYS 0.413043 0.765625
52 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.411392 0.836066
53 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.410256 0.818182
54 ARG VAL SER PRO SER THR SER TYR THR PRO 0.410072 0.8
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 TRP ASP ILE PRO PHE 0.407692 0.803279
61 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.407692 0.803279
62 ACE PHE HIS PRO ALA NH2 0.407407 0.85
63 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.406977 0.833333
64 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.406452 0.888889
65 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.405405 0.710145
66 LYS PRO VAL LEU ARG THR ALA 0.405405 0.724638
67 ILE THR ASP GLN VAL PRO PHE SER VAL 0.405063 0.787879
68 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.404959 0.813559
69 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.404908 0.811594
70 THR GLY VAL ALA LEU THR PRO PRO SER 0.40458 0.836066
71 THR PRO PRO SER PRO PHE 0.40458 0.809524
72 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.403614 0.818182
73 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.403509 0.733333
74 ALA DAL PRO PHE NIT 0.402985 0.764706
75 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.402439 0.71831
76 SER SER CYS PRO LEU SER LYS 0.40146 0.809524
77 DPN PRO DAR ILE NH2 0.40146 0.793651
78 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.401274 0.830769
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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