Receptor
PDB id Resolution Class Description Source Keywords
1ypj 1.78 Å EC: 3.4.21.5 THROMBIN INHIBITOR COMPLEX HOMO SAPIENS THROMBIN INHIBITOR COMPLEX BARREL 6 STRANDED BETA-SHEET CLOTTING-HYDROLASE INHIBITOR COMPLEX
Ref.: A SIMPLE PROTOCOL TO ESTIMATE DIFFERENCES IN PROTEI AFFINITY FOR ENANTIOMERS WITHOUT PRIOR RESOLUTION O RACEMATES ANGEW.CHEM.INT.ED.ENGL. V. 45 985 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU I:1;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
1271.32 n/a [S+2]...
UIB H:5555;
Valid;
none;
Ki = 95 nM
448.557 C26 H32 N4 O3 CC[C@...
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 HOMO SAPIENS 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 29 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
3 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
4 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
5 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
6 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
7 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
8 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
9 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
10 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
11 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
12 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
13 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
14 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
15 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
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 21 families.
1 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
2 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
3 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
4 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
5 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
6 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
7 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
8 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
9 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
10 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
11 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
12 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
13 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
14 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
15 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
16 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
17 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
18 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
19 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
20 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
21 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
22 1XMN - SGN IDS SGN IDS SGN n/a n/a
23 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
24 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
25 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
26 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
27 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
29 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
30 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
32 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
33 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
34 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
35 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
36 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
37 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
38 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
39 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
40 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
41 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
42 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
43 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
44 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
45 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
46 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
47 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
49 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
50 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
51 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
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 18 families.
1 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
2 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
3 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
4 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
5 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
6 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
7 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
8 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
9 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
10 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
11 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
12 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
13 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
14 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
15 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
16 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
17 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
18 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
19 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
20 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
21 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
22 1XMN - SGN IDS SGN IDS SGN n/a n/a
23 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
24 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
25 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
26 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
27 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
29 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
30 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
32 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
33 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
34 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
35 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
36 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
37 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
38 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
39 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
40 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
41 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
42 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
43 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
44 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
45 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
46 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
47 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
49 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
50 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
51 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
52 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
53 1UVT Ki = 0.023 uM I48 C20 H22 N3 O3 S Cc1cc(cc(c....
54 1ETR - MIT C23 H37 N6 O5 S C[C@@H]1CC....
55 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]/N=C(/c....
56 1ETT Ki = 1.3 uM 0ZG C22 H28 N4 O3 S [H]/N=C(/c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 1 1
2 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.785714 0.973684
3 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.726667 0.805195
4 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.726667 1
5 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.658228 0.883117
6 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.583851 0.792208
7 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.545977 0.839506
8 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.525 0.721519
9 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.52439 0.766234
10 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.514451 0.75
11 TRP ASP ILE PRO PHE 0.514286 0.684211
12 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.509317 0.6375
13 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.505882 0.716049
14 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.487805 0.766234
15 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.486842 0.701299
16 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.47486 0.636364
17 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.47093 0.728395
18 PRO GLN PTR GLU PTR ILE PRO ALA 0.467836 0.846154
19 TRP GLU TYR ILE PRO ASN VAL 0.465909 0.743902
20 PRO GLN PTR GLU GLU ILE PRO ILE 0.461988 0.820513
21 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.461538 0.794872
22 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.460674 0.825
23 LEU PHE GLY TYR PRO VAL TYR VAL 0.45509 0.766234
24 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.452128 0.703704
25 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.448864 0.779221
26 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.447059 0.753247
27 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.446328 0.769231
28 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.445087 0.701299
29 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.445087 0.766234
30 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.445087 0.766234
31 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.438503 0.72093
32 ACE GLN PM3 GLU GLU ILE PRO 0.433962 0.75641
33 LEU PRO PHE GLU ARG ALA THR ILE MET 0.433155 0.670455
34 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.432927 0.695122
35 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.430851 0.741176
36 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.428571 0.775
37 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.427778 0.753086
38 ALA PRO ALA TRP LEU PHE GLU ALA 0.426966 0.708861
39 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.426901 0.782051
40 VAL TYR ILE HIS PRO PHE 0.422857 0.725
41 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.421622 0.732558
42 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.417989 0.731707
43 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.416244 0.697674
44 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.416185 0.743902
45 LYS PRO PHE PTR VAL ASN VAL NH2 0.414773 0.8125
46 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.414365 0.696203
47 PHE ASN PHE PRO GLN ILE THR 0.413174 0.703704
48 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.412429 0.662791
49 SER SER TYR ARG ARG PRO VAL GLY ILE 0.411111 0.709302
50 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.410811 0.7375
51 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.410526 0.635294
52 ILE THR ASP GLN VAL PRO PHE SER VAL 0.410112 0.703704
53 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.410112 0.769231
54 PHE GLU ASP ASN PHE VAL PRO 0.409938 0.721519
55 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.409836 0.678571
56 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.409574 0.709302
57 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.409574 0.655172
58 ILE MET ASP GLN VAL PRO PHE SER VAL 0.40884 0.678571
59 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.404624 0.609756
60 SER SER PHE TYR PRO SEP ALA GLU GLY 0.404624 0.7875
61 DPN PRO DAR ILE NH2 0.403846 0.621951
62 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.403315 0.738095
63 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.402235 0.765432
64 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.402174 0.730769
65 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.402174 0.678571
66 LEU PRO PHE GLU ARG ALA THR VAL MET 0.402116 0.659091
67 LEU PRO PHE ASP LYS THR THR ILE MET 0.401099 0.707317
68 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.4 0.647727
69 THR PRO TYR ASP ILE ASN GLN MET LEU 0.4 0.714286
70 LEU ASN PHE PRO ILE SER PRO 0.4 0.707317
Ligand no: 2; Ligand: UIB; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 UIB 1 1
2 UIP 0.588235 0.887324
3 UIZ 0.491228 0.84507
4 UIR 0.481818 0.833333
5 SHY 0.476636 0.810811
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 1EB1; Ligand: ASP; Similar sites found: 105
This union binding pocket (no: 1) in the query (biounit: 1eb1.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1EB1 ASP 7.772e-16 1
2 1D9I ASP 3.253e-14 0.92557
3 1BHX ASP 1.326e-12 0.68083
4 4NJH 2K8 0.002503 0.44989
5 2PVN P63 0.00565 0.43116
6 2X4Z X4Z 0.005883 0.4303
7 3V8T 477 0.01152 0.42581
8 2WSA 646 0.03848 0.42255
9 4H1M 0YJ 0.012 0.41785
10 3EKK GS2 0.006507 0.41658
11 3BZ3 YAM 0.02287 0.41467
12 2XN5 FUN 0.004722 0.41446
13 2XNM WGZ 0.01071 0.41317
14 3LXN MI1 0.008972 0.40807
15 2XMY CDK 0.049 0.40544
16 3IOK 1P6 0.03596 0.40364
17 2HO2 PRO 8.719e-05 0.40262
18 3C88 ARG 0.02672 0.40183
19 4NS0 PIO 0.0002441 0.40002
20 2XB7 GUI 0.03323 0.39936
21 1VJY 460 0.01936 0.3992
22 3ETG GLU 0.04037 0.39615
23 3A8W ATP 0.01335 0.39591
24 4IPH 1FJ 0.02116 0.39575
25 1T3Q MCN 0.04078 0.39487
26 3PG7 PTY 0.03522 0.39466
27 1QIN GIP 0.03528 0.39462
28 3LXK MI1 0.03165 0.39447
29 4EQC XR1 0.03631 0.39399
30 2TPS TPS 0.02994 0.39296
31 3UDZ ADP 0.01707 0.39094
32 3ZW2 GAL 0.04894 0.39085
33 4KBA 1QM 0.01311 0.39077
34 3ZXE PGZ 0.007697 0.39053
35 4IJP 1EH 0.01966 0.39012
36 2FB3 GTP 0.03496 0.38966
37 4CYI ATP 0.02182 0.388
38 3KRL KRL 0.0392 0.38722
39 1GQG DCD 0.02553 0.38668
40 3TKI S25 0.03071 0.38634
41 2NLR BGC 0.01666 0.38415
42 4K39 SAM 0.02694 0.38369
43 1NFS DED 0.02259 0.38315
44 1F9A ATP 0.02806 0.38286
45 4U44 3D9 0.02668 0.38191
46 2YYE APC 0.03003 0.38147
47 4C4F 7CE 0.02875 0.38039
48 4IZY 1J2 0.04225 0.37967
49 4K38 SAM 0.03705 0.37901
50 4K37 SAM 0.03171 0.37839
51 1TT8 PHB 0.0488 0.37821
52 4NST ADP 0.03241 0.37795
53 3WG3 A2G 0.01631 0.37794
54 4PMM 31V 0.03291 0.37764
55 4CMT GWH 0.03347 0.37729
56 2GC0 PAN 0.03397 0.37699
57 4OCV ANP 0.04134 0.37491
58 2WQN ADP 0.02264 0.37368
59 2VN9 GVD 0.00604 0.37362
60 4CTB KVC 0.03825 0.37252
61 1Y2F WAI 0.02006 0.37085
62 4LRJ ANP 0.0426 0.36804
63 4LBK GAL 0.04951 0.36728
64 4GW8 3RA 0.02883 0.36687
65 1EPB REA 0.01581 0.36523
66 4EI4 0Q2 0.03288 0.36256
67 1NGP NPA 0.00455 0.3614
68 1MQB ANP 0.02822 0.36101
69 4KBC 1QJ 0.01228 0.35895
70 1W0H AMP 0.04529 0.35877
71 1RGE 2GP 0.02903 0.35846
72 2RDK MAN 0.04434 0.35778
73 4C2W ANP 0.04503 0.35777
74 2VDY HCY 0.03514 0.35495
75 3ML5 AZM 0.01754 0.35438
76 3UZP 0CK 0.04965 0.35434
77 4DC2 ADE 0.01388 0.35404
78 3SHR CMP 0.04117 0.35403
79 4G7A AZM 0.01008 0.3538
80 2XG5 EC5 0.006852 0.35363
81 4IEU 2CO 0.04879 0.35341
82 4AZT LY2 0.0396 0.35275
83 2V95 HCY 0.029 0.35172
84 3I7V ATP 0.0131 0.35099
85 1QD0 RR6 0.03888 0.35044
86 3PNA CMP 0.04311 0.3476
87 3OWK 18E 0.01534 0.34641
88 3D9T ALA 0.04153 0.34291
89 3C0G 3AM 0.03174 0.34255
90 4BMB LAT 0.02885 0.34158
91 1EVH ACE 0.01054 0.33983
92 4LOC OXM 0.041 0.33838
93 2XG5 EC2 0.007121 0.33799
94 4M6T SAM 0.02647 0.3379
95 2WEL K88 0.02719 0.3353
96 2VGD XYP 0.03531 0.33407
97 2J73 GLC 0.0498 0.33263
98 1NJJ GET 0.01026 0.33206
99 1PNF NDG 0.03681 0.3318
100 2QL9 CIT 0.02424 0.3299
101 2O5Z ANO 0.02982 0.32892
102 2YMZ LAT 0.02871 0.32328
103 3ITA AIC 0.01675 0.31462
104 3I7V B4P 0.007706 0.31296
105 3F5A SIA 0.03064 0.31105
Pocket no: 2; Query (leader) PDB : 1EB1; Ligand: ZAL; Similar sites found: 113
This union binding pocket (no: 2) in the query (biounit: 1eb1.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1EB1 ZAL 1.279e-21 1
2 1A2C 34H 1.156e-16 0.83557
3 2ANM CDO 8.882e-16 0.82573
4 1D9I 00P 1.839e-17 0.78829
5 4AX9 N5N 3.933e-17 0.73871
6 3C1K T15 1.621e-16 0.73267
7 1SL3 170 1.441e-16 0.72598
8 1BHX R56 1.208e-16 0.7161
9 1ETS MID 3.258e-16 0.70675
10 1TA6 177 7.772e-16 0.70661
11 3VXE DPN 5.106e-16 0.70198
12 1C4V IH2 3.589e-16 0.69419
13 1C4U IH1 4.116e-16 0.69288
14 1OYT FSN 2.123e-16 0.68638
15 1TMT DPN 1.332e-15 0.68175
16 2ANK N12 1.221e-15 0.65902
17 1NZQ 162 1.332e-15 0.65803
18 1O0D 163 1.554e-15 0.6564
19 2V3O I26 1.554e-15 0.64439
20 1W7G MIU 1.665e-15 0.64358
21 2FES 3SP 1.998e-15 0.64223
22 2FEQ 34P 6.217e-15 0.60729
23 2A2X NA9 1.166e-14 0.60282
24 1XUJ BOZ 7.443e-08 0.55768
25 2P3T 993 6.115e-10 0.54005
26 4O97 NTX 9.572e-09 0.51408
27 1J17 ZEN 1.323e-08 0.51129
28 1YF4 CYS 6.648e-10 0.5099
29 1GJC 130 2.755e-07 0.50926
30 4BTI 7R9 3.176e-09 0.50565
31 1W13 SM1 1.757e-08 0.50457
32 2VH6 GSV 1.012e-09 0.4982
33 2P8O BVA 5.128e-11 0.49184
34 2H9E DTY 3.493e-10 0.48902
35 1RIW OSC 1.478e-11 0.48343
36 2B7D C1B 1.914e-06 0.48335
37 4D8N 0HM 9.454e-10 0.4831
38 1UHB GLY 1.113e-08 0.47931
39 4ISH 1GE 2.198e-06 0.47827
40 4TY7 39F 6.638e-09 0.47286
41 1NFU RRP 1.866e-10 0.45953
42 1O5E 132 2.934e-10 0.44861
43 1ELE 0QN 1.128e-06 0.44093
44 1OSS BEN 4.906e-07 0.43903
45 1PQ7 ARG 5.109e-10 0.43808
46 3N7O N7O 3.066e-07 0.42538
47 3LC3 IYX 2.991e-08 0.42448
48 1UTJ ABN 3.041e-07 0.42359
49 2EC9 24X 2.153e-07 0.42187
50 4TY6 39D 1.406e-07 0.41985
51 1YGC 905 7.515e-07 0.41976
52 1T32 OHH 3.713e-08 0.41247
53 3TJV PRO 2.343e-06 0.41243
54 1FIW PBZ 1.396e-06 0.41006
55 2ZGJ SER 7.102e-07 0.40495
56 1LVB THR 0.0001532 0.39976
57 2BDG PBZ 2.491e-09 0.39624
58 4A6L P43 1.47e-05 0.39015
59 1P11 BOC 1.158e-05 0.38932
60 1H4W BEN 1.329e-09 0.38911
61 2OQ5 BEN 1.695e-09 0.38684
62 2ANY BAM 2.388e-09 0.38555
63 1RTF BEN 1.034e-09 0.37644
64 1IAU ACE 1.385e-06 0.37524
65 3MMG GLU 0.0002487 0.37215
66 3MMG GLU 0.0002278 0.37051
67 3Q77 2HY 2.527e-06 0.36433
68 2PKA BEN 1.201e-07 0.35979
69 1A0J BEN 2.102e-09 0.3576
70 2AIQ BEN 3.698e-08 0.35613
71 4NFE BEN 7.683e-05 0.35142
72 3WOL VAL 0.002402 0.3512
73 3P8N L4T 0.001174 0.34805
74 3KEE 30B 0.0007717 0.34575
75 1LVM ACE 0.002031 0.34559
76 4NWK 2R8 0.001428 0.34445
77 3SUD SUE 0.004969 0.34303
78 2HAL ACE 0.003308 0.33257
79 2XCF BBQ 0.0009269 0.32675
80 4OMC 2UC 0.03683 0.32564
81 4HDO GNP 0.04502 0.31961
82 3DUR KDO 0.03935 0.31632
83 1NLU IVA 0.01344 0.31447
84 2YY8 MTA 0.02116 0.30918
85 2YY8 SAM 0.03414 0.30779
86 4SGA ACE 0.0001331 0.30381
87 2TPI ILE 0.0157 0.30309
88 2OUA AES 2.606e-06 0.30151
89 3AIA SAM 0.0277 0.29865
90 3HMO STU 0.02658 0.29812
91 4JWF SAH 0.04966 0.29779
92 2XYA 7L4 0.0004024 0.29615
93 4UBS DIF 0.03943 0.29108
94 4GR5 APC 0.02389 0.29096
95 3U1I BEZ 0.02092 0.28965
96 1HPG BOC 0.0002408 0.28918
97 4ISS TAR 0.03598 0.2818
98 4IKN ASP 0.03463 0.27876
99 3PHQ KDO 0.04416 0.27431
100 3V0W PA1 0.03145 0.27408
101 1SZ2 BGC 0.04239 0.27348
102 4HCZ SER 0.02482 0.27306
103 4HCZ GLY 0.02532 0.27288
104 4KBC 1QJ 0.04228 0.27055
105 2CBT TH2 0.04016 0.2692
106 1L0I PSR 0.03372 0.26509
107 3MAN BMA 0.04455 0.26497
108 2BGC DTT 0.01406 0.2647
109 3CV2 OXL 0.01864 0.26285
110 2BGC DTU 0.02945 0.26272
111 3CYQ AMU 0.0101 0.25416
112 1PVC ILE 0.003601 0.24842
113 3HNB 768 0.04665 0.24829
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