Receptor
PDB id Resolution Class Description Source Keywords
3U8O 1.28 Å EC: 3.4.21.5 HUMAN THROMBIN COMPLEXED WITH D-PHE-PRO-D-ARG-D-THR 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 DTH NH2 I:1;
Valid;
none;
Ki = 0.92 uM
521.643 n/a O=C(N...
IOD H:603;
Invalid;
none;
submit data
126.904 I [I-]
MRD H:605;
H:606;
Invalid;
Invalid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@H...
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 (52)
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 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
20 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
21 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
22 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
23 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
24 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
25 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
26 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
27 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
29 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
31 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
32 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
33 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
34 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
35 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
36 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
37 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
38 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
39 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
40 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
41 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
43 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1XMN - SGN IDS SGN IDS SGN n/a n/a
45 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
46 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
47 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
49 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
50 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
51 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
52 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 15 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 DTH NH2; Similar ligands found: 166
No: Ligand ECFP6 Tc MDL keys Tc
1 DPN PRO DAR DTH NH2 1 1
2 DPN PRO DAR ILE NH2 0.851064 0.870968
3 DPN PRO DAR CYS NH2 0.762887 0.883333
4 DPN PRO ARG 0.712766 0.883333
5 PHE PRO ARG 0.659794 0.881356
6 TYR PRO LYS ARG ILE ALA 0.585366 0.850746
7 PHE ASN ARG PRO VAL 0.560345 0.861538
8 ALA THR PRO PHE GLN GLU 0.558824 0.85
9 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.551471 0.893939
10 VAL MET ALA PRO ARG THR LEU PHE LEU 0.540146 0.842857
11 TYR PRO PHE PHE NH2 0.537037 0.75
12 LEU PRO PHE ASP ARG THR THR ILE MET 0.535714 0.819444
13 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.530769 0.842857
14 LEU PRO PHE GLU ARG ALA THR VAL MET 0.517241 0.842857
15 SER PRO LYS ARG ILE ALA 0.516667 0.861538
16 ARG PRO LYS ARG ILE ALA 0.508333 0.815385
17 LEU PRO PHE GLU ARG ALA THR ILE MET 0.506757 0.830986
18 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.5 0.867647
19 CYS THR PRO SER ARG 0.5 0.890625
20 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.496454 0.867647
21 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.49635 0.852941
22 PHE PRO THR LYS ASP VAL ALA LEU 0.496241 0.761194
23 ARG PRO MET THR PHE LYS GLY ALA LEU 0.493243 0.830986
24 PHE ASN PHE PRO GLN ILE THR 0.492188 0.753623
25 LYS PRO VAL LEU ARG THR ALA 0.492063 0.876923
26 THR PRO ARG ARG SER MLZ SER ALA 0.491803 0.826087
27 THR LYS PRO ARG 0.490385 0.836066
28 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.485294 0.808824
29 ARG SEP PRO VAL PHE SER 0.485294 0.84058
30 GLY PHE ARG PRO 0.482143 0.885246
31 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.478261 0.791667
32 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.477941 0.830986
33 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.477876 0.734375
34 TRP ASP ILE PRO PHE 0.477876 0.734375
35 ALA MET ALA PRO ARG THR LEU LEU LEU 0.476923 0.814286
36 5JP PRO LYS ARG ILE ALA 0.47619 0.835821
37 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.47619 0.714286
38 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.475862 0.855072
39 ALA PRO ASP THR ARG PRO 0.47541 0.850746
40 VAL PRO LEU ARG PRO MET THR TYR 0.475177 0.808219
41 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.47482 0.878788
42 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.473684 0.819444
43 GLU ARG THR ILE PRO ILE THR ARG GLU 0.46875 0.850746
44 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.467105 0.842857
45 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.466667 0.830986
46 ARG PRO LYS PRO LEU VAL ASP PRO 0.466667 0.8
47 ARG ARG ARG GLU ARG SER PRO THR ARG 0.465116 0.876923
48 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.464052 0.819444
49 ARG PHE PRO LEU THR PHE GLY TRP 0.464052 0.830986
50 ALA PRO ASP THR ARG PRO ALA PRO 0.464 0.850746
51 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.46281 0.8
52 ACE ARG THR PRO SEP LEU PRO THR 60H 0.462069 0.786667
53 MAA LYS PRO PHE 0.46087 0.725806
54 LEU PRO GLU THR GLY 0.460177 0.769231
55 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.459854 0.838235
56 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.459627 0.808219
57 ACE ARG THR PRO SEP LEU PRO THR PIP 0.459259 0.773333
58 DTY ILE ARG LEU LPD 0.457364 0.863636
59 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.455882 0.727273
60 ASP ARG VAL TYR ILE HIS PRO PHE 0.455128 0.794521
61 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.453125 0.828125
62 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.452229 0.763889
63 LEU SER SER PRO VAL THR LYS SER PHE 0.451852 0.776119
64 SER PRO ARG LEU PRO LEU LEU GLU SER 0.451613 0.8125
65 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.450382 0.850746
66 PHE SER HIS PRO GLN ASN THR 0.449275 0.782609
67 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.448276 0.830986
68 TYR PRO TYR 0.447619 0.723077
69 GLY SER ASP PRO PHE LYS 0.447154 0.769231
70 ARG TYR PRO LEU THR PHE GLY TRP 0.446541 0.808219
71 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.444444 0.785714
72 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.443709 0.867647
73 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.443662 0.838235
74 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.443038 0.77027
75 SER HIS PRO ARG PRO ILE ARG VAL 0.442857 0.802817
76 PHE CYS HIS PRO GLN ASN THR NH2 0.442748 0.791045
77 SER ALA PRO ASP THR ARG PRO ALA 0.442748 0.838235
78 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.442029 0.746479
79 SER ASP ILE LEU PHE PRO ALA ASP SER 0.440298 0.75
80 HIS HIS ALA SER PRO ARG LYS 0.439716 0.876923
81 LEU PRO PHE ASP LYS THR THR ILE MET 0.438356 0.708333
82 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.437037 0.771429
83 LEU ASP PRO ARG 0.435897 0.828125
84 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.435484 0.8125
85 ACE GLN GLU ARG GLU VAL PRO CYS 0.435115 0.80303
86 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.434211 0.74359
87 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.434211 0.808219
88 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.433566 0.60241
89 THR PRO PRO SER PRO PHE 0.433333 0.8125
90 ARG THR PRO SEP LEU PRO THR 0.432836 0.791667
91 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.432836 0.850746
92 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.432432 0.84058
93 SER SER TYR ARG ARG PRO VAL GLY ILE 0.431507 0.830986
94 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.431373 0.84058
95 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.430657 0.794118
96 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.430556 0.708333
97 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.429752 0.811594
98 LYS ARG ARG ARG HIS PRO SER GLY 0.42963 0.835821
99 LYS THR PHE PRO PRO THR GLU PRO LYS 0.429577 0.772727
100 ARG PRO MET THR TYR LYS GLY ALA LEU 0.429487 0.797297
101 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.429487 0.842857
102 ILE SER PRO ARG THR LEU ASP ALA TRP 0.429448 0.808219
103 PRO ALA PRO PHE PRO ALA NH2 0.428571 0.703125
104 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.428571 0.782609
105 LYS ARG ARG ARG HIS PRO SER 0.428571 0.846154
106 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.428571 0.84058
107 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.427711 0.808219
108 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.426901 0.797297
109 LYS PRO PHE PTR VAL ASN VAL NH2 0.426573 0.662338
110 LEU PRO PHE GLU LYS SER THR VAL MET 0.425676 0.722222
111 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.425 0.797297
112 01B PRO PRO ALA NH2 0.424779 0.75
113 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.424242 0.768116
114 SER ARG ASP HIS SER ARG THR PRO MET 0.423841 0.783784
115 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.423611 0.753846
116 PRO PRO LYS LYS LYS ARG LYS VAL 0.422764 0.825397
117 0G6 0.422414 0.903226
118 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.421429 0.724638
119 ILE THR ASP GLN VAL PRO PHE SER VAL 0.42069 0.779412
120 LEU ASN PHE PRO ILE SER PRO 0.419847 0.732394
121 GLU PRO GLY GLY SER ARG 0.419355 0.859375
122 ACE CYS HIS PRO GLN ASN THR NH2 0.419118 0.768116
123 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.41791 0.71831
124 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.416667 0.828571
125 ACE TRP ARG VAL PRO 0.416667 0.808824
126 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.414474 0.693333
127 SER SER PHE TYR PRO SEP ALA GLU GLY 0.414286 0.702703
128 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.414062 0.75
129 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.413333 0.826087
130 ARG ARG LEU ILE PHE NH2 0.413223 0.65625
131 GLY PRO ARG PRO 0.412844 0.793651
132 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.412791 0.786667
133 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.412587 0.863636
134 PRO PRO LYS ARG ILE ALA 0.412214 0.815385
135 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.411348 0.746479
136 MET TRP ARG PRO TRP 0.411348 0.771429
137 GLN ALA SER TPO PRO ARG NIT 0.410596 0.7375
138 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.410596 0.771429
139 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.410072 0.742857
140 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.409938 0.808824
141 SER THR SEP PRO THR PHE ASN LYS 0.409396 0.75
142 LEU PRO PHE ASP LYS SER THR ILE MET 0.409091 0.712329
143 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.406667 0.742857
144 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.406452 0.808219
145 3BY PRO LYS ARG ILE ALA 0.406015 0.757143
146 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.404412 0.686567
147 ARG VAL ALA SER PRO THR SER GLY VAL 0.404412 0.863636
148 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.404255 0.826087
149 LEU PHE GLY TYR PRO VAL TYR VAL 0.404255 0.724638
150 LEU PRO LYS MYK THR GLY GLY 0.404255 0.735294
151 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.40411 0.7
152 GLU PHE SER PRO 0.403509 0.806452
153 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.403226 0.8
154 ACE PHE HIS PRO ALA NH2 0.403226 0.712121
155 ALA THR ARG ASN PHE SER GLY 0.403101 0.738462
156 ARG VAL SER PRO SER THR SER TYR THR PRO 0.403101 0.776119
157 ASN ARG PRO ILE LEU SER LEU 0.402985 0.811594
158 ALA CYS SEP PRO GLN PHE GLY 0.402878 0.742857
159 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.402778 0.791667
160 ARG PRO PRO LYS PRO ARG PRO ARG 0.401575 0.806452
161 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.401515 0.863636
162 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.401361 0.828571
163 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.401316 0.693333
164 ARG ARG ALA SEP ALA PRO LEU PRO 0.4 0.753425
165 VAL ALA PHE ARG SER 0.4 0.725806
166 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.4 0.704225
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: 50
This union binding pocket(no: 1) in the query (biounit: 1eb1.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FFG LBS 0.0005945 0.47278 1.94553
2 2JEN GLC GLC BGC XYS BGC XYS 0.003895 0.43086 2.33463
3 5DY5 5GR 0.04819 0.41166 2.63158
4 3QCQ 3Q0 0.002049 0.49631 2.72374
5 5HCY 60D 0.02052 0.41891 2.72374
6 5HCF BGC 0.01019 0.41578 2.72374
7 2YNE NHW 0.005152 0.47445 3.11284
8 2YNE YNE 0.005152 0.47445 3.11284
9 5BYZ 4WE 0.005564 0.43562 3.11284
10 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.01927 0.40084 3.11284
11 3KRR DQX 0.02813 0.42427 3.50195
12 4X5S AZM 0.01286 0.40875 3.87931
13 4I4S LAT 0.005422 0.43199 4.10959
14 3G5N PB2 0.03413 0.42744 4.28016
15 4NM5 ADP 0.0112 0.41064 4.28016
16 4COQ SAN 0.01383 0.40626 4.45344
17 5IH9 6BF 0.0004373 0.49578 4.66926
18 4OTH DRN 0.003698 0.43193 4.66926
19 4CQE CQE 0.02713 0.408 5.05837
20 4NS0 PIO 0.0002441 0.50393 5.26316
21 3PE2 E1B 0.01202 0.43264 5.44747
22 4IJP 1EH 0.01589 0.40002 5.44747
23 3WG3 A2G GAL NAG FUC 0.004075 0.40763 5.61798
24 4XV1 904 0.02176 0.40861 6.22568
25 3SAO NKN 0.002757 0.42761 6.25
26 4WW7 AMP 0.01008 0.41116 6.41711
27 4XIZ LPP 0.009878 0.42575 6.47059
28 5W4W 9WG 0.02545 0.40169 6.61479
29 3I7V ATP 0.0131 0.40052 6.71642
30 1T26 NAI 0.02087 0.4194 7.00389
31 5ISY NAD 0.002949 0.42384 7.7821
32 4CLI 5P8 0.01592 0.42457 8.17121
33 2X4Z X4Z 0.008455 0.4303 8.94942
34 5FU3 BGC BGC BGC 0.008931 0.41626 9.43396
35 3ITA AIC 0.0118 0.4146 10.1167
36 4WNK 453 0.02378 0.40315 10.5058
37 2WSA MYA 0.04441 0.42255 11.1111
38 2WSA 646 0.04441 0.42255 11.1111
39 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.00002279 0.40262 15.7895
40 4UWJ MYA 0.0241 0.4291 18.5185
41 4UWJ 7L5 0.0241 0.4291 18.5185
42 5F3I 5UJ 0.03939 0.41188 18.5185
43 5UIU 8CG 0.02103 0.4058 18.5185
44 3MVH WFE 0.02538 0.40174 22.2222
45 2XN5 FUN 0.004302 0.42085 25.7143
46 2XG5 EC5 0.006852 0.43072 37.037
47 2XG5 EC2 0.006852 0.43072 37.037
48 1VJY 460 0.02587 0.40371 37.037
49 1OUK 084 0.03565 0.43393 48.1481
50 1OBD ATP 0.007021 0.40655 48.1481
Pocket No.: 2; Query (leader) PDB : 1EB1; Ligand: ZAL PRO MMO; Similar sites found: 43
This union binding pocket(no: 2) in the query (biounit: 1eb1.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P8N L4T 0.0002989 0.41562 2.15054
2 3R4Z GLA 0.04728 0.40281 2.33463
3 4GR5 APC 0.02379 0.40091 2.33463
4 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.00004047 0.46016 2.48963
5 2CXG GLC GLC 0.02636 0.41275 2.72374
6 2XCF BBQ 0.0002651 0.48482 3.0303
7 3AB4 LYS 0.03234 0.40491 3.11284
8 4Q3F TLA 0.0308 0.40877 3.4188
9 3ESS 18N 0.03387 0.40849 4.34783
10 2AWN ADP 0.04022 0.4039 4.66926
11 3NOJ PYR 0.01866 0.42801 5.46218
12 2YY8 MTA 0.007923 0.42804 5.47264
13 2YY8 SAM 0.003971 0.4234 5.47264
14 3P7G MAN 0.03765 0.407 5.47945
15 2FKA BEF 0.01658 0.4159 6.20155
16 3G6N MET ALA SER 0.03009 0.41058 6.28272
17 1J71 THR ILE THR SER 0.0389 0.40668 7.00389
18 2CJU PHX 0.008433 0.43599 7.07965
19 1MFA GLA MMA ABE 0.03421 0.41214 7.08661
20 3KEE 30B 0.0001518 0.41093 7.7821
21 1HPG BOC ALA ALA PRO GLU 0.00002285 0.5532 8.02139
22 1GPM CIT 0.0482 0.40125 8.17121
23 4SGA ACE PRO ALA PRO PHE 0.000003716 0.43632 8.83978
24 2Z48 NGA 0.0206 0.40862 8.94942
25 4NWK 2R8 0.0003823 0.46015 9.13242
26 2OUA AES 0.0000007612 0.66105 9.57447
27 3SUD SUE 0.0003548 0.40514 9.85222
28 3WOL VAL TYR 0.0003625 0.44641 10.1167
29 1GXU 2HP 0.01643 0.41332 14.2857
30 5JWI ARG GLU 0.001911 0.44526 25.9259
31 3BBH SFG 0.006689 0.42013 25.9259
32 5E58 CPZ 0.02533 0.41 33.3333
33 5A8Y VBM 0.0000005937 0.47941 45.8716
34 1GJC 130 0.00000000004006 0.70596 46.2451
35 1OSS BEN 0.00000000001668 0.5187 47.0852
36 1SQA UI1 0.0000000001493 0.6847 47.3469
37 1RTF BEN 0.0000000001026 0.48976 48.0159
38 3N7O N7O 0.000000006423 0.64135 48.6726
39 2AIQ BEN 0.00000007108 0.44134 48.9177
40 1IAU ACE ILE GLU PRO ASJ 0.0000001015 0.65078 49.3392
41 1FIW PBZ 0.000000001727 0.50218 49.4163
42 1PQ7 ARG 0.00000000003058 0.58302 49.5536
43 4NFE BEN 0.0000001494 0.42832 49.789
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