Receptor
PDB id Resolution Class Description Source Keywords
3RC5 1.6 Å EC: 3.4.21.98 MOLECULAR MECHANISMS OF VIRAL AND HOST-CELL SUBSTRATE RECOGN HCV NS3/4A PROTEASE HEPATITIS C VIRUS SUBTYPE 1A DRUG RESISTANCE DRUG DESIGN PROTEASE INHIBITORS SERINE PRHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: MOLECULAR MECHANISMS OF VIRAL AND HOST-CELL SUBSTRA RECOGNITION BY HCV NS3/4A PROTEASE. J.VIROL. 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE GLN GLU ARG GLU VAL PRO CYS B:0;
 Valid;
 none;
 submit data
899.981 n/a SCC(N...
SO4 A:1;
A:2;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
ZN A:1183;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SUD 1.96 Å EC: 3.4.21.98 CRYSTAL STRUCTURE OF NS3/4A PROTEASE IN COMPLEX WITH MK-5172 HEPATITIS C VIRUS DRUG RESISTANCE DRUG DESIGN PROTEASE INHIBITORS HCV SERIPROTEASE VIRAL PROTEIN HYDROLASE-INHIBITOR COMPLEX
Ref.: THE MOLECULAR BASIS OF DRUG RESISTANCE AGAINST HEPA VIRUS NS3/4A PROTEASE INHIBITORS. PLOS PATHOG. V. 8 02832 2012
Members (43)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5EQR - TSV C35 H44 F N5 O9 S CC(C)(C)OC....
2 5ETX - 5RS C36 H52 N6 O9 S CCc1c(nc2c....
3 5VP9 Ki = 1.03 nM 9H7 C38 H46 N6 O8 S2 CC(C)(C)OC....
4 4WF8 - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
5 3SU2 Ki = 44.8 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
6 5EQS - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
7 3RC5 - ACE GLN GLU ARG GLU VAL PRO CYS n/a n/a
8 3M5M - ACE PHE ASP GLU MET GLU GLU CYS n/a n/a
9 6NZV - L9J C40 H54 F2 N6 O9 S CC[C@@H]1[....
10 6PIZ Ki = 27.9 nM ON4 C37 H48 N6 O9 S Cc1c(nc2cc....
11 6PJ2 Ki = 81 nM OM7 C40 H55 N7 O9 S CC[C@H](C)....
12 6PIW Ki = 12.7 nM OLV C39 H52 N6 O9 S Cc1c(nc2cc....
13 4WH6 - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
14 6UE3 Ki = 52 nM 9H4 C37 H50 N6 O9 S Cc1c(nc2cc....
15 6CVW Ki = 7.1 nM FH1 C37 H50 N6 O9 S Cc1c(nc2cc....
16 3SV9 - SV6 C36 H55 N7 O6 CCC[C@@H](....
17 5EPN Kd = 2.2 nM 5R2 C37 H50 N6 O9 S CCc1c(nc2c....
18 3M5N - SER GLU CYS THR THR PRO CYS n/a n/a
19 3SU0 Ki = 162 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
20 3SU4 Ki = 554 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
21 6CVY Ki = 3.9 nM FHD C36 H49 Cl N6 O9 S CCCCCOC(=O....
22 6PIX Ki = 931 nM OLY C40 H55 N7 O10 S Cc1c(nc2c(....
23 6PJ0 Ki = 21.7 nM OMV C40 H54 N6 O9 S CCC1(CCCC1....
24 6PIU Ki = 9.68 nM OL7 C42 H57 N7 O10 S Cc1c(nc2cc....
25 3SUE Ki = 0.84 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
26 6PIY Ki = 46.4 nM OMS C38 H50 N6 O9 S Cc1c(nc2cc....
27 3SU3 Ki = 0.74 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
28 5VOJ Ki = 3.6 nM 9H4 C37 H50 N6 O9 S Cc1c(nc2cc....
29 6PIV Ki = 2.3 nM OLJ C39 H50 N6 O9 S Cc1c(nc2cc....
30 6CVX Ki = 21 nM FH4 C39 H54 N6 O9 S CC(C)c1c(n....
31 3SU6 Ki = 958 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
32 3SUF Ki = 27.8 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
33 3SU1 Ki = 208 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
34 3SU5 Ki = 2635 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
35 6PJ1 Ki = 16 nM GKM C39 H52 N6 O9 S Cc1c(nc2cc....
36 5EQQ Kd = 6.7 nM 5RS C36 H52 N6 O9 S CCc1c(nc2c....
37 3SUG Ki = 620 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
38 3SUD Ki = 0.14 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
39 3M5O - ACE THR GLU ASP VAL VAL CYS CYS n/a n/a
40 5ESB - SU3 C38 H55 N5 O9 S CC[C@@H]1C....
41 6NZT - L9P C40 H52 F4 N6 O9 S CC[C@@H]1[....
42 5EPY - 5R2 C37 H50 N6 O9 S CCc1c(nc2c....
43 3M5L - TSV C35 H44 F N5 O9 S CC(C)(C)OC....
70% Homology Family (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5EQR - TSV C35 H44 F N5 O9 S CC(C)(C)OC....
2 5ETX - 5RS C36 H52 N6 O9 S CCc1c(nc2c....
3 5VP9 Ki = 1.03 nM 9H7 C38 H46 N6 O8 S2 CC(C)(C)OC....
4 4WF8 - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
5 3SU2 Ki = 44.8 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
6 5EQS - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
7 3RC5 - ACE GLN GLU ARG GLU VAL PRO CYS n/a n/a
8 3M5M - ACE PHE ASP GLU MET GLU GLU CYS n/a n/a
9 6NZV - L9J C40 H54 F2 N6 O9 S CC[C@@H]1[....
10 6PIZ Ki = 27.9 nM ON4 C37 H48 N6 O9 S Cc1c(nc2cc....
11 6PJ2 Ki = 81 nM OM7 C40 H55 N7 O9 S CC[C@H](C)....
12 6PIW Ki = 12.7 nM OLV C39 H52 N6 O9 S Cc1c(nc2cc....
13 4WH6 - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
14 6UE3 Ki = 52 nM 9H4 C37 H50 N6 O9 S Cc1c(nc2cc....
15 6CVW Ki = 7.1 nM FH1 C37 H50 N6 O9 S Cc1c(nc2cc....
16 3SV9 - SV6 C36 H55 N7 O6 CCC[C@@H](....
17 5EPN Kd = 2.2 nM 5R2 C37 H50 N6 O9 S CCc1c(nc2c....
18 3M5N - SER GLU CYS THR THR PRO CYS n/a n/a
19 3SU0 Ki = 162 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
20 3SU4 Ki = 554 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
21 6CVY Ki = 3.9 nM FHD C36 H49 Cl N6 O9 S CCCCCOC(=O....
22 6PIX Ki = 931 nM OLY C40 H55 N7 O10 S Cc1c(nc2c(....
23 6PJ0 Ki = 21.7 nM OMV C40 H54 N6 O9 S CCC1(CCCC1....
24 6PIU Ki = 9.68 nM OL7 C42 H57 N7 O10 S Cc1c(nc2cc....
25 3SUE Ki = 0.84 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
26 6PIY Ki = 46.4 nM OMS C38 H50 N6 O9 S Cc1c(nc2cc....
27 3SU3 Ki = 0.74 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
28 5VOJ Ki = 3.6 nM 9H4 C37 H50 N6 O9 S Cc1c(nc2cc....
29 6PIV Ki = 2.3 nM OLJ C39 H50 N6 O9 S Cc1c(nc2cc....
30 6CVX Ki = 21 nM FH4 C39 H54 N6 O9 S CC(C)c1c(n....
31 3SU6 Ki = 958 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
32 3SUF Ki = 27.8 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
33 3SU1 Ki = 208 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
34 3SU5 Ki = 2635 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
35 6PJ1 Ki = 16 nM GKM C39 H52 N6 O9 S Cc1c(nc2cc....
36 5EQQ Kd = 6.7 nM 5RS C36 H52 N6 O9 S CCc1c(nc2c....
37 3SUG Ki = 620 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
38 3SUD Ki = 0.14 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
39 3M5O - ACE THR GLU ASP VAL VAL CYS CYS n/a n/a
40 5ESB - SU3 C38 H55 N5 O9 S CC[C@@H]1C....
41 6NZT - L9P C40 H52 F4 N6 O9 S CC[C@@H]1[....
42 5EPY - 5R2 C37 H50 N6 O9 S CCc1c(nc2c....
43 3M5L - TSV C35 H44 F N5 O9 S CC(C)(C)OC....
44 4NWL - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
45 6BQJ - Z1B C39 H49 F2 N5 O9 S CC(C)(C)[C....
46 6BQK ic50 = 1 nM Z1E C34 H44 Cl F2 N5 O9 S CC(C)(C)[C....
47 4NWK - 2R8 C35 H47 N5 O9 S CC(C)(C)[C....
48 7D5L ic50 = 4.8 nM GXO C40 H51 F4 N5 O9 S CC[C@@H]1C....
50% Homology Family (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5EQR - TSV C35 H44 F N5 O9 S CC(C)(C)OC....
2 5ETX - 5RS C36 H52 N6 O9 S CCc1c(nc2c....
3 5VP9 Ki = 1.03 nM 9H7 C38 H46 N6 O8 S2 CC(C)(C)OC....
4 4WF8 - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
5 3SU2 Ki = 44.8 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
6 5EQS - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
7 3RC5 - ACE GLN GLU ARG GLU VAL PRO CYS n/a n/a
8 3M5M - ACE PHE ASP GLU MET GLU GLU CYS n/a n/a
9 6NZV - L9J C40 H54 F2 N6 O9 S CC[C@@H]1[....
10 6PIZ Ki = 27.9 nM ON4 C37 H48 N6 O9 S Cc1c(nc2cc....
11 6PJ2 Ki = 81 nM OM7 C40 H55 N7 O9 S CC[C@H](C)....
12 6PIW Ki = 12.7 nM OLV C39 H52 N6 O9 S Cc1c(nc2cc....
13 4WH6 - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
14 6UE3 Ki = 52 nM 9H4 C37 H50 N6 O9 S Cc1c(nc2cc....
15 6CVW Ki = 7.1 nM FH1 C37 H50 N6 O9 S Cc1c(nc2cc....
16 3SV9 - SV6 C36 H55 N7 O6 CCC[C@@H](....
17 5EPN Kd = 2.2 nM 5R2 C37 H50 N6 O9 S CCc1c(nc2c....
18 3M5N - SER GLU CYS THR THR PRO CYS n/a n/a
19 3SU0 Ki = 162 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
20 3SU4 Ki = 554 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
21 6CVY Ki = 3.9 nM FHD C36 H49 Cl N6 O9 S CCCCCOC(=O....
22 6PIX Ki = 931 nM OLY C40 H55 N7 O10 S Cc1c(nc2c(....
23 6PJ0 Ki = 21.7 nM OMV C40 H54 N6 O9 S CCC1(CCCC1....
24 6PIU Ki = 9.68 nM OL7 C42 H57 N7 O10 S Cc1c(nc2cc....
25 3SUE Ki = 0.84 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
26 6PIY Ki = 46.4 nM OMS C38 H50 N6 O9 S Cc1c(nc2cc....
27 3SU3 Ki = 0.74 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
28 5VOJ Ki = 3.6 nM 9H4 C37 H50 N6 O9 S Cc1c(nc2cc....
29 6PIV Ki = 2.3 nM OLJ C39 H50 N6 O9 S Cc1c(nc2cc....
30 6CVX Ki = 21 nM FH4 C39 H54 N6 O9 S CC(C)c1c(n....
31 3SU6 Ki = 958 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
32 3SUF Ki = 27.8 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
33 3SU1 Ki = 208 nM TSV C35 H44 F N5 O9 S CC(C)(C)OC....
34 3SU5 Ki = 2635 nM SU3 C38 H55 N5 O9 S CC[C@@H]1C....
35 6PJ1 Ki = 16 nM GKM C39 H52 N6 O9 S Cc1c(nc2cc....
36 5EQQ Kd = 6.7 nM 5RS C36 H52 N6 O9 S CCc1c(nc2c....
37 3SUG Ki = 620 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
38 3SUD Ki = 0.14 nM SUE C38 H50 N6 O9 S CC(C)(C)[C....
39 3M5O - ACE THR GLU ASP VAL VAL CYS CYS n/a n/a
40 5ESB - SU3 C38 H55 N5 O9 S CC[C@@H]1C....
41 6NZT - L9P C40 H52 F4 N6 O9 S CC[C@@H]1[....
42 5EPY - 5R2 C37 H50 N6 O9 S CCc1c(nc2c....
43 3M5L - TSV C35 H44 F N5 O9 S CC(C)(C)OC....
44 4NWL - 2R9 C35 H46 Cl N5 O9 S CC(C)(C)[C....
45 6BQJ - Z1B C39 H49 F2 N5 O9 S CC(C)(C)[C....
46 6BQK ic50 = 1 nM Z1E C34 H44 Cl F2 N5 O9 S CC(C)(C)[C....
47 4NWK - 2R8 C35 H47 N5 O9 S CC(C)(C)[C....
48 7D5L ic50 = 4.8 nM GXO C40 H51 F4 N5 O9 S CC[C@@H]1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE GLN GLU ARG GLU VAL PRO CYS; Similar ligands found: 100
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE GLN GLU ARG GLU VAL PRO CYS 1 1
2 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.616541 0.794118
3 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.544118 0.893939
4 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.529851 0.838235
5 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.514493 0.893939
6 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.5 0.921875
7 LEU PRO PRO GLU GLU ARG LEU ILE 0.496241 0.920635
8 ACE GLU VAL ASN ALA PRO VAL LPD 0.495935 0.8
9 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.493333 0.816901
10 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.492754 0.880597
11 ACE TRP ARG VAL PRO 0.492424 0.878788
12 SER GLU CYS THR THR PRO CYS 0.491935 0.761194
13 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.488889 0.811594
14 SER PRO LYS ARG ILE ALA 0.488189 0.861538
15 ACE GLU ALA GLN THR ARG LEU 0.487805 0.681818
16 ARG ARG ARG GLU ARG SER PRO THR ARG 0.485294 0.835821
17 5JP PRO LYS ARG ILE ALA 0.484615 0.835821
18 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.482993 0.880597
19 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.482014 0.892308
20 ACE GLU VAL ASN PRO ALA VAL LPD 0.480315 0.8
21 ARG PRO LYS ARG ILE ALA 0.477273 0.888889
22 LYS PRO SEP GLN GLU LEU 0.475806 0.732394
23 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.473333 0.865672
24 ARG ARG ARG GLU THR GLN VAL 0.470085 0.681818
25 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.469512 0.816901
26 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.466667 0.764706
27 MET CYS PRO ARG MET THR ALA VAL MET 0.465753 0.828571
28 DPN PRO DAR CYS NH2 0.464 0.825397
29 LEU PRO PHE GLU ARG ALA THR VAL MET 0.462025 0.830986
30 ACE GLU VAL ASN PRO 0.46087 0.809524
31 ACE GLU VAL ALA PRO PRO VAL LPD 0.460317 0.83871
32 ALA THR PRO PHE GLN GLU 0.458647 0.742424
33 ACE ARG THR PRO SEP LEU PRO THR PIP 0.457746 0.74026
34 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.454545 0.8
35 ACE PRO VAL GLN GLU THR NH2 0.454545 0.772727
36 LYS PRO VAL LEU ARG THR ALA 0.453237 0.863636
37 ARG GLU ARG SER PRO THR ARG 0.45082 0.875
38 THR ARG ARG GLU THR GLN LEU 0.45082 0.671642
39 ACE GLU VAL ASN PRO PRO VAL LPD 0.450382 0.8
40 ACE PRO ILE GLN GLU GLU 0.449153 0.809524
41 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.447368 0.739726
42 DPN PRO DAR DTH NH2 0.44186 0.791045
43 DPN PRO DAR ILE NH2 0.44186 0.828125
44 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.440994 0.865672
45 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.438849 0.735294
46 LEU PRO PHE GLU ARG ALA THR ILE MET 0.438272 0.819444
47 TYR PRO LYS ARG ILE ALA 0.4375 0.811594
48 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.4375 0.671642
49 THR LYS PRO ARG 0.435897 0.883333
50 SER SER GLY LYS VAL PRO LEU 0.435115 0.787879
51 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.434483 0.936508
52 ALA PHE ARG ILE PRO LEU THR ARG 0.433333 0.814286
53 ACE ARG THR PRO SEP LEU PRO THR 60H 0.432258 0.730769
54 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.431818 0.887097
55 ALA MET ALA PRO ARG THR LEU LEU LEU 0.429577 0.855072
56 1IP CYS PHE SER LYS PRO ARG 0.427632 0.84058
57 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.426752 0.826087
58 DPN PRO ARG 0.42623 0.83871
59 ALA VAL PRO ILE ALA GLN 0.424 0.806452
60 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.423729 0.806452
61 GLU ARG THR ILE PRO ILE THR ARG GLU 0.423358 0.808824
62 PHE ASN ARG PRO VAL 0.423358 0.876923
63 SAC ARG GLY THR GLN THR GLU 0.423077 0.671642
64 ACE ALA ALA ARG LBZ SER ALA PRO ALA 0.422819 0.850746
65 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.422619 0.766234
66 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.42069 0.723684
67 ALA ARG MLZ SER ALA PRO ALA THR 0.41958 0.802817
68 PRO PRO LYS ARG ILE ALA 0.41844 0.888889
69 3BY PRO LYS ARG ILE ALA 0.41844 0.850746
70 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.41844 0.921875
71 THR PRO ARG ARG SER MLZ SER ALA 0.41791 0.788732
72 GLU PRO GLY GLY SER ARG 0.416667 0.846154
73 SER SER GLY LYS VAL PRO LEU SER 0.414815 0.776119
74 PRO GLN PTR GLU GLU ILE PRO ILE 0.413333 0.693333
75 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.413333 0.857143
76 ACE TYR PRO ILE GLN GLU THR 0.412587 0.714286
77 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.412587 0.876923
78 ILE THR ASP GLN VAL PRO PHE SER VAL 0.411765 0.71831
79 ILE GLN GLN SER ILE GLU ARG ILE 0.410853 0.656716
80 SER HIS PRO ARG PRO ILE ARG VAL 0.410596 0.791667
81 ILE MET ASP GLN VAL PRO PHE SER VAL 0.410256 0.712329
82 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.409091 0.903226
83 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.407895 0.863636
84 SER ARG ASP HIS SER ARG THR PRO MET 0.407407 0.773333
85 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.406977 0.786667
86 SER ALA PRO ASP THR ARG PRO ALA 0.405594 0.852941
87 GLU ALA GLN THR ARG LEU 0.40458 0.666667
88 ASN ARG PRO ILE LEU SER LEU 0.404255 0.826087
89 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.403846 0.863636
90 LEU PRO PHE ASP ARG THR THR ILE MET 0.403727 0.808219
91 PRO SER ARG VAL 0.403361 0.769231
92 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.402985 0.873016
93 GLN ALA SER TPO PRO ARG NIT 0.402516 0.666667
94 ACE CYS HIS PRO GLN ASN THR NH2 0.401408 0.757143
95 PRO GLN PTR GLU PTR ILE PRO ALA 0.401316 0.675325
96 PRO PRO LYS LYS LYS ARG LYS VAL 0.4 0.901639
97 LEU PRO GLU THR GLY 0.4 0.772727
98 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.4 0.814286
99 ACE GLN THR ALA ARG PRK SER THR 0.4 0.686567
100 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.4 0.784615
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE GLN GLU ARG GLU VAL PRO CYS; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SUD; Ligand: SUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3sud.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3SUD; Ligand: SUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3sud.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3SUD; Ligand: SUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3sud.bio2) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3SUD; Ligand: SUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3sud.bio4) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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