Receptor
PDB id Resolution Class Description Source Keywords
3U8T 1.86 Å EC: 3.4.21.5 HUMAN THROMBIN COMPLEXED WITH D-PHE-PRO-D-ARG-CYS HOMO SAPIENS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: RATIONAL DESIGN AND CHARACTERIZATION OF D-PHE-PRO-D-ARG-DERIVED DIRECT THROMBIN INHIBITORS. PLOS ONE V. 7 34354 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL H:604;
Invalid;
none;
submit data
35.453 Cl [Cl-]
DPN PRO DAR CYS NH2 I:1;
Valid;
none;
Ki = 16.5 uM
523.683 n/a SCC(N...
IOD H:603;
Invalid;
none;
submit data
126.904 I [I-]
MPD H:605;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NA H:602;
Part of Protein;
none;
submit data
22.99 Na [Na+]
NAG H:601;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EB1 1.8 Å EC: 3.4.21.5 COMPLEX STRUCTURE OF HUMAN THROMBIN WITH N-METHYL-ARGININE I SYNTHETIC CONSTRUCT SERINE PROTEINASE BLOOD COAGULATION CALCIUM-BINDING GLYCOKRINGLE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: THE METHYL GROUP OF N(ALPHA)(ME)ARG-CONTAINING PEPT DISTURBS THE ACTIVE-SITE GEOMETRY OF THROMBIN, IMPA EFFICIENT CLEAVAGE J.MOL.BIOL. V. 316 869 2002
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
70% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
19 1ETR - MIT C23 H37 N6 O5 S C[C@@H]1CC....
20 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]/N=C(/c....
21 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
22 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
23 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
24 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
25 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
26 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
27 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
29 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
31 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
32 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
33 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
34 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
35 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
36 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
37 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
38 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
39 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
40 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
41 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
43 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
45 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
46 1XMN - SGN IDS SGN IDS SGN n/a n/a
47 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
48 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
49 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
50 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
51 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
52 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
53 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
54 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
50% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
19 1UVT Ki = 0.023 uM I48 C20 H22 N3 O3 S Cc1cc(cc(c....
20 1ETT Ki = 1.3 uM 0ZG C22 H28 N4 O3 S [H]/N=C(/c....
21 1ETR - MIT C23 H37 N6 O5 S C[C@@H]1CC....
22 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]/N=C(/c....
23 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
24 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
25 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
26 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
27 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
29 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
32 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
33 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
34 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
35 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
36 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
37 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
38 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
39 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
40 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
41 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
43 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
45 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
46 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
47 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 1XMN - SGN IDS SGN IDS SGN n/a n/a
49 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
50 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
51 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
52 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
53 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
54 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
55 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
56 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DPN PRO DAR CYS NH2; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 DPN PRO DAR CYS NH2 1 1
2 DPN PRO DAR DTH NH2 0.767677 0.885246
3 DPN PRO DAR ILE NH2 0.767677 0.898305
4 DPN PRO ARG 0.734043 0.912281
5 PHE PRO ARG 0.663265 0.945455
6 TYR PRO PHE PHE NH2 0.582524 0.730159
7 PHE ASN ARG PRO VAL 0.57265 0.857143
8 TYR PRO LYS ARG ILE ALA 0.543307 0.791045
9 GLY PHE ARG PRO 0.509091 0.913793
10 SER PRO LYS ARG ILE ALA 0.508475 0.784615
11 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.507353 0.794118
12 0G6 0.504587 0.868852
13 1IP CYS PHE SER LYS PRO ARG 0.50365 0.820895
14 ALA PHE ARG ILE PRO LEU THR ARG 0.5 0.794118
15 5JP PRO LYS ARG ILE ALA 0.495575 0.772727
16 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.492647 0.815385
17 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.487805 0.809524
18 CYS THR PRO SER ARG 0.487179 0.828125
19 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.485437 0.737705
20 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.482014 0.791045
21 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.481752 0.80303
22 THR LYS PRO ARG 0.481132 0.862069
23 ARG PRO PRO GLY PHE 0.479339 0.898305
24 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.477273 0.75
25 HIS PRO PHE 0.472727 0.741935
26 LEU PRO PHE ASP ARG THR THR ILE MET 0.472603 0.763889
27 ARG PRO LYS ARG ILE ALA 0.472 0.809524
28 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.471014 0.736111
29 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.468966 0.80597
30 DTY ILE ARG LEU LPD 0.468254 0.80303
31 THR PRO ARG ARG SER MLZ SER ALA 0.467213 0.742857
32 LEU PRO PHE GLU ARG ALA THR VAL MET 0.466667 0.785714
33 ACE GLN GLU ARG GLU VAL PRO CYS 0.464 0.825397
34 ARG SEP PRO VAL PHE SER 0.463768 0.757143
35 ALA THR PRO PHE GLN GLU 0.462963 0.741935
36 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.462069 0.782609
37 VAL MET ALA PRO ARG THR LEU PHE LEU 0.462069 0.785714
38 LEU PRO PHE GLU ARG ALA THR ILE MET 0.460526 0.774648
39 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.460526 0.794118
40 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.455224 0.779412
41 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.45283 0.757143
42 ALA CYS SEP PRO GLN PHE GLY 0.447761 0.735294
43 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.446043 0.779412
44 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.443478 0.75
45 GLU PRO GLY GLY SER ARG 0.442623 0.825397
46 ARG THR PHE SER PRO THR TYR GLY LEU 0.442177 0.739726
47 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.439655 0.709677
48 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.437909 0.771429
49 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.437909 0.714286
50 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.4375 0.739726
51 GLY SER ASP PRO PHE LYS 0.435484 0.75
52 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.435374 0.80303
53 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.434426 0.727273
54 LYS ARG ARG ARG HIS PRO SER 0.432836 0.8125
55 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.432258 0.760563
56 SER PRO ARG LEU PRO LEU LEU GLU SER 0.432 0.836066
57 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.431034 0.730159
58 TRP ASP ILE PRO PHE 0.431034 0.730159
59 LYS ARG ARG ARG HIS PRO SER GLY 0.430657 0.80303
60 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.43038 0.739726
61 32U 0.429907 0.844828
62 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.429688 0.742424
63 MET CYS PRO ARG MET THR ALA VAL MET 0.429577 0.757143
64 SER SER TYR ARG ARG PRO VAL GLY ILE 0.427586 0.75
65 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.426752 0.779412
66 HIS HIS ALA SER PRO ARG LYS 0.426573 0.787879
67 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.425806 0.75
68 ARG ARG ARG GLU ARG SER PRO THR ARG 0.425373 0.787879
69 PHE ASN PHE PRO GLN ILE THR 0.425373 0.671429
70 GLU PHE SER PRO 0.424779 0.758065
71 ARG PRO MET THR PHE LYS GLY ALA LEU 0.424051 0.774648
72 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.423077 0.782609
73 ARG ARG LEU ILE PHE NH2 0.420168 0.672131
74 PHE PRO THR LYS ASP VAL ALA LEU 0.41958 0.705882
75 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.418919 0.764706
76 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.41844 0.716418
77 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.417722 0.72973
78 LEU ASP PRO ARG 0.416667 0.809524
79 MAA LYS PRO PHE 0.416667 0.79661
80 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.416107 0.768116
81 ARG PRO LYS PRO LEU VAL ASP PRO 0.416 0.822581
82 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.416 0.822581
83 GLU ARG THR ILE PRO ILE THR ARG GLU 0.415385 0.787879
84 THR PRO PRO SER PRO PHE 0.415254 0.712121
85 VAL PRO LEU ARG PRO MET THR TYR 0.414966 0.753425
86 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.414286 0.764706
87 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.412698 0.836066
88 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.412162 0.75
89 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.411765 0.771429
90 PHE ARG TYR LEU GLY 0.41129 0.608696
91 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.410448 0.787879
92 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.410072 0.787879
93 ALA PRO ASP THR ARG PRO 0.409449 0.764706
94 GLY PRO ARG PRO 0.409091 0.847458
95 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.406977 0.72973
96 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.406897 0.720588
97 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.405229 0.757143
98 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.405229 0.757143
99 LYS PRO VAL LEU ARG THR ALA 0.404412 0.787879
100 GLN ALA SER TPO PRO ARG NIT 0.403974 0.666667
101 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.403846 0.794118
102 SER HIS PRO ARG PRO ILE ARG VAL 0.402778 0.746479
103 ACE PRO ALA PRO PHE 0.401786 0.6875
104 ALA DAL PRO PHE NIT 0.401639 0.652778
105 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.40146 0.676056
106 ALA MET ALA PRO ARG THR LEU LEU LEU 0.40146 0.757143
107 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.401408 0.764706
108 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.4 0.753425
109 ACE ARG ARG B3L MEA NH2 0.4 0.681818
110 LEU PRO SER PHE GLU THR ALA LEU 0.4 0.705882
111 LYS PRO PHE PTR VAL ASN VAL NH2 0.4 0.644737
112 ACE ARG THR PRO SEP LEU PRO THR PIP 0.4 0.675325
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EB1; Ligand: ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE; 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: 1eb1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1EB1; Ligand: ZAL PRO MMO; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 1eb1.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1GJC 130 46.2451
2 1OSS BEN 47.0852
3 1RTF BEN 48.0159
4 6B74 BEN 48.1481
5 2AIQ BEN 48.9177
6 1FIW PBZ 49.4163
7 1PQ7 ARG 49.5536
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